Chem
J-GLOBAL ID：200907027164104589   Nikkaji number：J427.749J

1-Methyl-2-[[4-[(ethoxycarbonyl)cyanomethylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]pyridin-1-ium

1-メチル-2-[[4-[(エトキシカルボニル)シアノメチレン]-2,5-シクロヘキサジエン-1-イリデン]シアノメチル]ピリジン-1-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H16N2[N+]O2
Molecular formula furigana： C19-H16-N3-O2
Molecular weight： 318.355
InChI： InChI=1S/C19H16N3O2/c1-3-24-19(23)17(13-21)15-9-7-14(8-10-15)16(12-20)18-6-4-5-11-22(18)2/h4-11H,3H2,1-2H3/q+1/b16-14-,17-15+
InChI key： SJNQQUHLLLYUFT-QUDUTFMFSA-N
SMILES： CCOC(=O)/C(=c\1/cc/c(=C(/C#N)\c2cccc[n+]2C)/cc1)/C#N
Systematic name  (3)：
  • 1-メチル-2-[[4-[(エトキシカルボニル)シアノメチレン]-2,5-シクロヘキサジエン-1-イリデン]シアノメチル]ピリジン-1-イウム
  • 2-{シアノ[(1Z,4Z)-4-(1-シアノ-2-エトキシ-2-オキソエチリデン)シクロヘキサ-2,5-ジエン-1-イリデン]メチル}-1-メチルピリジン-1-イウム
  • 2-{cyano[(1Z,4Z)-4-(1-cyano-2-ethoxy-2-oxoethylidene)cyclohexa-2,5-dien-1-ylidene]methyl}-1-methylpyridin-1-ium
Other name (1)：
  • 1-Methyl-2-[[4-[(ethoxycarbonyl)cyanomethylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]pyridin-1-ium
Thsaurus map：
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