<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334167</id>
  <title nil="true"/>
  <common-name>[4-bromo-2-[(e)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate</common-name>
  <description>[4-bromo-2-[(e)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a chemical compound with the formula C23H17BrClN3O6. With an average molecular weight of 546.80 g/mol, [4-bromo-2-[(e)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a heavy molecule.</description>
  <cas>765273-51-6</cas>
  <pubchem-id>9666665</pubchem-id>
  <chemical-formula>C23H17BrClN3O6</chemical-formula>
  <weight>546.8</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T15:45:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:45:48Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C(=O)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C23H17BrClN3O6</moldb-formula>
  <moldb-inchi>InChI=1S/C23H17BrClN3O6/c1-14(33-21-5-3-2-4-19(21)28(31)32)22(29)27-26-13-16-12-17(24)8-11-20(16)34-23(30)15-6-9-18(25)10-7-15/h2-14H,1H3,(H,27,29)/b26-13+</moldb-inchi>
  <moldb-inchikey>HHCMEVQXMMVMGL-LGJNPRDNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">544.99893</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM330060</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[4-bromo-2-[(e)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Depsides and depsidones</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284645</sync-id>
  <structure-inchikey>HHCMEVQXMMVMGL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000200000000000040000800000000400880000000000000001000000202000020012000000000000000000000000000000000000000000000000000400400000002000000000020408000000300001804800000400200000000010088000200000080100000000400081000000040000000000000000004002040020000800000000000000084000000001100000000000000000400000000000000000000000000084000002000001000000000000000000000000000000000000000000000000100000000000010004000000040000200000000000000000000000000001040000000000400100000001020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJAAAAIABBgBgAAAAAQMGAGAAAAAD
AQYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEHACgAAAADAwYAaAAAAAMDAQZA
KAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAA
AAMDASMAIAAAAAEIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZA
aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBEQAg
AAAAAQgAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD
AwEGQGgAAAADAwEGQCgAAAADBAcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA/wMB
CwABAAECAAIDKAICBCAEBSAFBigCBgcgBwhoDAgJaAwJCmgMCgtoDAsMaAwL
DQAIDiAODyAPECgCDxEgERJoDBITaAwTFGgMFBVoDBUWaAwUFwABGAAYGSAZ
GmgMGhtoDBscaAwcHWgMHR5oDB4fIB8gKAIfISAMB2gMFhFoDB4ZaAxCAwAA
AAYJCgsMBwgGEhMUFRYRBhobHB0eGRcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:04Z</structure-indexed-at>
</compound>
