<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">14236</id>
  <title nil="true"/>
  <common-name>Benzoic acid, 4-[[(2,5-dichlorophenyl)amino]carbonyl]-2-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]azo]-, methyl ester</common-name>
  <description nil="true"/>
  <cas>61847-48-1</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C33H24Cl2N4O6</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-19T04:08:14Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:14:43Z</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>COC(=O)C1=C(N\N=C2/C(=O)C(=CC3=CC=CC=C23)C(O)=NC2=CC=CC=C2OC)C=C(C=C1)C(O)=NC1=C(Cl)C=CC(Cl)=C1</moldb-smiles>
  <moldb-formula>C33H24Cl2N4O6</moldb-formula>
  <moldb-inchi>InChI=1S/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,38H,1-2H3,(H,36,42)(H,37,41)/b39-29-</moldb-inchi>
  <moldb-inchikey>OUHCNDIVBVVGQH-RGINJTCGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">643.48</moldb-average-mass>
  <moldb-mono-mass type="decimal">642.1072899</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM013131</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00008416</stoff-ident-id>
  <susdat-id nil="true"/>
  <iupac>(4Z)-4-(2-{5-[(2,5-dichlorophenyl)-C-hydroxycarbonimidoyl]-2-(methoxycarbonyl)phenyl}hydrazin-1-ylidene)-N-(2-methoxyphenyl)-3-oxo-3,4-dihydronaphthalene-2-carboximidic acid</iupac>
</compound>
