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<compound>
  <id type="integer">330820</id>
  <title nil="true"/>
  <common-name>(4e)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>5907288</pubchem-id>
  <chemical-formula>C22H21FN2O6</chemical-formula>
  <weight>428.4</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">2026-08-30T11:30:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T11:30:05Z</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=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=CC=C(C=C3)[N+](=O)[O-])O)F</moldb-smiles>
  <moldb-formula>C22H21FN2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C22H21FN2O6/c1-13-4-5-15(12-17(13)23)20(26)18-19(14-6-8-16(9-7-14)25(29)30)24(10-3-11-31-2)22(28)21(18)27/h4-9,12,19,26H,3,10-11H2,1-2H3/b20-18+</moldb-inchi>
  <moldb-inchikey>RXYHOGQIMIYOMF-CZIZESTLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">428.1383646</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM326713</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>(4e)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione</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>Organoheterocyclic compounds</superklass>
  <klass>Pyrrolidines</klass>
  <subklass>Phenylpyrrolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0281364</sync-id>
  <structure-inchikey>RXYHOGQIMIYOMF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000400800800000000000000000000000000000000000000000000000000000000020000000000000000004000800000000000000000002000000000000000000000200020000000000000020000000000110001000100000400040000000010000000240000000110000000000000100000000000000001400100020000040000000000000000020004000000000001000000000000020000021000000000000000000008000084100000008100080000000080000000000000000000000000000000000000020000000000000104000802000000200000100000010420000008000000040000000010000800000001000040000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ��������������������!���€���`������@(������@(������@h�������@(������@h�������@h��������(�������(�������`�������(�������(�������(�������(�������(�������`�������`�������`������� ������`������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ����h������	� ����������h���h���h���h���h��� ��(��	�	
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	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:33:17Z</structure-indexed-at>
</compound>
