<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339300</id>
  <title nil="true"/>
  <common-name>Methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-[(2e)-2-phenylmethoxyiminoethyl]-3,4-dihydropyridine-5-carboxylate</common-name>
  <description>Methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-[(2e)-2-phenylmethoxyiminoethyl]-3,4-dihydropyridine-5-carboxylate is a chemical compound with the formula C24H25N3O5. It has an average molecular weight of 435.50 g/mol.</description>
  <cas>89560-49-6</cas>
  <pubchem-id>129011851</pubchem-id>
  <chemical-formula>C24H25N3O5</chemical-formula>
  <weight>435.5</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">2026-08-30T22:35:12Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:35:12Z</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=NC(=C(C(C1CC=NOCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C</moldb-smiles>
  <moldb-formula>C24H25N3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C24H25N3O5/c1-16-21(12-13-25-32-15-18-8-5-4-6-9-18)23(22(17(2)26-16)24(28)31-3)19-10-7-11-20(14-19)27(29)30/h4-11,13-14,21,23H,12,15H2,1-3H3/b25-13+</moldb-inchi>
  <moldb-inchikey>BGJMAYVEHJAKHM-DHRITJCHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">435.1794209</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM335193</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>Methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-[(2e)-2-phenylmethoxyiminoethyl]-3,4-dihydropyridine-5-carboxylate</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289721</sync-id>
  <structure-inchikey>BGJMAYVEHJAKHM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000000800000000000000240000000000000000000000000000000008000000000000000000000002004000008001000000000000000080000000000000000000000000000000000000020000000000300001004000040400000000000010000000240000000100000002000010000000000000000000000100001000040200000800000000000010080014000001100000000000000000021800000080084000000000008080000000000000000040000000020000000000000000000000402000020000000000001000000000000002000002220002000000000400000000000000040000000000400000800001000000000201000000020</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����(�������(�������(�������`�������`�����������(��� ��(��������������	(�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:50Z</structure-indexed-at>
</compound>
