Chem
J-GLOBAL ID:200907077536630905   Nikkaji number:J1.361.139D

4-[1-(Phenoxycarbonyl)pyridinium-2-yl]-2-butenoic acid ethyl ester

4-[1-(フェノキシカルボニル)ピリジニウム-2-イル]-2-ブテン酸エチル
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: C18H18[N+]O4
Molecular formula furigana: C18-H18-N-O4
Molecular weight: 312.344
InChI: InChI=1S/C18H18NO4/c1-2-22-17(20)13-8-10-15-9-6-7-14-19(15)18(21)23-16-11-4-3-5-12-16/h3-9,11-14H,2,10H2,1H3/q+1
InChI key: APGIVWLZUDPGMX-UHFFFAOYSA-N
SMILES: CCOC(=O)C=CCc1cccc[n+]1C(=O)Oc1ccccc1
Systematic name  (3):
  • 4-[1-(フェノキシカルボニル)ピリジニウム-2-イル]-2-ブテン酸エチル
  • 2-(4-エトキシ-4-オキソブタ-2-エン-1-イル)-1-(フェノキシカルボニル)ピリジン-1-イウム
  • 2-(4-ethoxy-4-oxobut-2-en-1-yl)-1-(phenoxycarbonyl)pyridin-1-ium
Other name (1):
  • 4-[1-(Phenoxycarbonyl)pyridinium-2-yl]-2-butenoic acid ethyl ester
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