<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">317760</id>
  <title nil="true"/>
  <common-name>N-[(e)-(4-butoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide</common-name>
  <description>N-[(e)-(4-butoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is a chemical compound with the formula C19H21N3O5. It has an average molecular weight of 371.40 g/mol.</description>
  <cas>303087-46-9</cas>
  <pubchem-id>9682223</pubchem-id>
  <chemical-formula>C19H21N3O5</chemical-formula>
  <weight>371.4</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">2026-08-29T15:57:01Z</created-at>
  <updated-at type="dateTime">2026-08-29T15:57:01Z</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>CCCCOC1=CC=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C19H21N3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C19H21N3O5/c1-2-3-12-26-17-8-4-15(5-9-17)13-20-21-19(23)14-27-18-10-6-16(7-11-18)22(24)25/h4-11,13H,2-3,12,14H2,1H3,(H,21,23)/b20-13+</moldb-inchi>
  <moldb-inchikey>USISGISPCBFFKA-DEDYPNTBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">371.1481208</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM313653</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>N-[(e)-(4-butoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Nitrobenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0268573</sync-id>
  <structure-inchikey>USISGISPCBFFKA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040004000000000800002000000000000000000000080000000000000000002000002000402200000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000300001204000000400040000020010000000200000080000000000000080000000000000000000000000020000040000000000000000000000080000000001000000000000000000020000000000000000010000000080000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000200000000000000420000000000001048010000010400000000001000000000080000004000</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������� *��������(������ *���ÿ����������������� ��h���h���h��	h�	
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	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:23:29Z</structure-indexed-at>
</compound>
