<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46492</id>
  <title nil="true"/>
  <common-name>3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(o-tolyl)naphthalene-2-carboxamide</common-name>
  <description nil="true"/>
  <cas>6410-32-8</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C25H20N4O4</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">2016-06-03T13:12:25Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:23:20Z</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>CC1=CC(=CC=C1N\N=C1/C(=O)C(=CC2=CC=CC=C12)C(O)=NC1=CC=CC=C1C)N(=O)=O</moldb-smiles>
  <moldb-formula>C25H20N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,27H,1-2H3,(H,26,31)/b28-23-</moldb-inchi>
  <moldb-inchikey>DNOBQSKPOIGIIX-NFFVHWSESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">440.459</moldb-average-mass>
  <moldb-mono-mass type="decimal">440.14845514</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>CHEM045387</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00008096</stoff-ident-id>
  <susdat-id nil="true"/>
  <iupac>(4Z)-4-[2-(2-methyl-4-nitrophenyl)hydrazin-1-ylidene]-N-(2-methylphenyl)-3-oxo-3,4-dihydronaphthalene-2-carboximidic acid</iupac>
</compound>
