Chem
J-GLOBAL ID：200907038947193047   Nikkaji number：J2.221.498E

Carbonic acid ethyl[(S)-α-cyanocinnamyl] ester

炭酸エチル[(S)-α-シアノシンナミル]
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： C13H13NO3
Molecular formula furigana： C13-H13-N-O3
Molecular weight： 231.251
InChI： InChI=1S/C13H13NO3/c1-2-16-13(15)17-12(10-14)9-8-11-6-4-3-5-7-11/h3-9,12H,2H2,1H3/b9-8+/t12-/m0/s1
InChI key： BRTFWVQUOKVGFQ-BCPZQOPPSA-N
SMILES： CCOC(=O)O[C@@H](/C=C/c1ccccc1)C#N
Systematic name  (4)：
  • (2S,3E)-2-(エトキシカルボニルオキシ)-4-フェニル-3-ブテンニトリル
  • 炭酸エチル[(S)-α-シアノシンナミル]
  • (2S,3E)-2-[(エトキシカルボニル)オキシ]-4-フェニルブタ-3-エンニトリル
  • (2S,3E)-2-[(ethoxycarbonyl)oxy]-4-phenylbut-3-enenitrile
Other name (2)：
  • (2S,3E)-2-(Ethoxycarbonyloxy)-4-phenyl-3-butenenitrile
  • Carbonic acid ethyl[(S)-α-cyanocinnamyl] ester
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