Chem
J-GLOBAL ID：200907070240957106   Nikkaji number：J2.103.395B

4-[(Z)-1,3-Dimethyl-2-cyano-1-butenyl]benzoic acid methyl ester

4-[(Z)-1,3-ジメチル-2-シアノ-1-ブテニル]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： C15H17NO2
Molecular formula furigana： C15-H17-N-O2
Molecular weight： 243.306
InChI： InChI=1S/C15H17NO2/c1-10(2)14(9-16)11(3)12-5-7-13(8-6-12)15(17)18-4/h5-8,10H,1-4H3/b14-11+
InChI key： FYXIGCPCPAFOIG-SDNWHVSQSA-N
SMILES： COC(=O)c1ccc(cc1)/C(=C(\C#N)/C(C)C)/C
Systematic name  (3)：
  • 4-[(Z)-1,3-ジメチル-2-シアノ-1-ブテニル]安息香酸メチル
  • メチル 4-[(1Z)-1-シアノ-1-(プロパン-2-イル)プロパ-1-エン-2-イル]ベンゾアート
  • methyl 4-[(1Z)-1-cyano-1-(propan-2-yl)prop-1-en-2-yl]benzoate
Other name (1)：
  • 4-[(Z)-1,3-Dimethyl-2-cyano-1-butenyl]benzoic acid methyl ester
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