334166 <common-name>[4-bromo-2-[(e)-[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>9634305</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">2026-08-30T15:45:44Z</created-at> <updated-at type="dateTime">2026-08-30T15:45:44Z</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=C(C=C3)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C23H17BrClN3O6</moldb-formula> <moldb-inchi>InChI=1S/C23H17BrClN3O6/c1-14(33-20-9-7-19(8-10-20)28(31)32)22(29)27-26-13-16-12-17(24)4-11-21(16)34-23(30)15-2-5-18(25)6-3-15/h2-14H,1H3,(H,27,29)/b26-13+</moldb-inchi> <moldb-inchikey>JGGXDDFLXWSEAD-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>CHEM330059</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-(4-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>CED0284644</sync-id> <structure-inchikey>JGGXDDFLXWSEAD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000100000000000000200000000000040000000000000400880000000000000001000000202200000000000000000000000000000000000000000000000000000000000400400000002000000000020408000000300001204800000400240000000010088000200000080100000000400080000000040800000000000000004002040020000000000000000000084000000001000000000000000000420000000000000000000000000084000000000001000000000000000000000000000000000000000000000000100000000000010004000000040000200000000000000420000000000001040000000000400100000001020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���$���€���`�������`�������(�������(�������h��������(�������h�������@(������@(������@h�������@h�������@(������@h������#� ������(�������(�������(������@(������@h�������@h�������@(������@h�������@h�������� ������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ�����������(��� �� ��(��� ��h�� h� h� �h���h�� ��� �� ��(��� ��h���h���h���h���h��������� ��h���h���h���h���h��� � (��! ��h���h���h�B����� ����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:04Z</structure-indexed-at> </compound>