364917 <common-name>(e)-n-methyl-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-imine oxide</common-name> <description>(e)-n-methyl-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-imine oxide is a chemical compound with the formula C9H12N4O3. It has an average molecular weight of 224.22 g/mol.</description> <cas nil="true"/> <pubchem-id>101915538</pubchem-id> <chemical-formula>C9H12N4O3</chemical-formula> <weight>224.22</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">2026-09-01T15:16:09Z</created-at> <updated-at type="dateTime">2026-09-01T15:16:09Z</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>CC(=[N+](C)[O-])C=CC1=CN=C(N1C)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C9H12N4O3</moldb-formula> <moldb-inchi>InChI=1S/C9H12N4O3/c1-7(12(3)14)4-5-8-6-10-9(11(8)2)13(15)16/h4-6H,1-3H3/b5-4+,12-7?</moldb-inchi> <moldb-inchikey>VGWCHPMDTJPNML-LECZDAOFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">224.0909403</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.4</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>CHEM360810</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>(e)-n-methyl-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-imine oxide</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>CED0314884</sync-id> <structure-inchikey>VGWCHPMDTJPNML-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000c000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000000000000000000000080000000000000000000020000000000200001000000000400000000000010000001300000000000000000000000100000080000000000000400000004040000200040000000000084000000000001000000000000000000000000000000000000000000000080000001010000000080000000000000000000100000000000000000000000000000000100000000000000000004000000000000000000000000000000040000000000000800000001000000000100000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGACgAAAAD BAcgKgAAAAEDBAYAYAAAAAEDCCAqAAAA/wMBBgBoAAAAAwMBBgBoAAAAAwMB BkAoAAAAAwQGQGgAAAADAwEHQCgAAAADAwZAKAAAAAMEB0AoAAAAAwMGAGAA AAABAwcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA/wMBCwABAAECKAICAwACBCAB BSAFBigCBgcgBwhoDAgJaAwJCmgMCgtoDAsMAAoNIA0OKAINDyALB2gMQgEA AAAFBwgJCgsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:10Z</structure-indexed-at> </compound>