Chem
J-GLOBAL ID：200907078567078522   Nikkaji number：J2.110.271G

4-[(Z)-1-(1-Cyanoethylidene)-2,2-dimethylpropyl]benzoic acid methyl ester

4-[(Z)-1-(1-シアノエチリデン)-2,2-ジメチルプロピル]安息香酸メチル
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： C16H19NO2
Molecular formula furigana： C16-H19-N-O2
Molecular weight： 257.333
InChI： InChI=1S/C16H19NO2/c1-11(10-17)14(16(2,3)4)12-6-8-13(9-7-12)15(18)19-5/h6-9H,1-5H3/b14-11+
InChI key： YZGGSBGXJDIBIG-SDNWHVSQSA-N
SMILES： COC(=O)c1ccc(cc1)/C(=C(/C)\C#N)/C(C)(C)C
Systematic name  (3)：
  • 4-[(Z)-1-(1-シアノエチリデン)-2,2-ジメチルプロピル]安息香酸メチル
  • メチル 4-[(1Z)-1-シアノ-1,3,3-トリメチルブタ-1-エン-2-イル]ベンゾアート
  • methyl 4-[(1Z)-1-cyano-1,3,3-trimethylbut-1-en-2-yl]benzoate
Other name (1)：
  • 4-[(Z)-1-(1-Cyanoethylidene)-2,2-dimethylpropyl]benzoic acid methyl ester
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