Chem
J-GLOBAL ID:200907050834861078   Nikkaji number:J916.911C

4-[4-(Dicyanomethylene)pyridin-1(4H)-yl]benzoic acid (R)-1-methylheptyl ester

4-[4-(ジシアノメチレン)ピリジン-1(4H)-イル]安息香酸(R)-1-メチルヘプチル
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: C23H25N3O2
Molecular formula furigana: C23-H25-N3-O2
Molecular weight: 375.472
InChI: InChI=1S/C23H25N3O2/c1-3-4-5-6-7-18(2)28-23(27)20-8-10-22(11-9-20)26-14-12-19(13-15-26)21(16-24)17-25/h8-15,18H,3-7H2,1-2H3/t18-/m1/s1
InChI key: AZLSNGQVIBOUTJ-GOSISDBHSA-N
SMILES: CCCCCC[C@@H](C)OC(=O)c1ccc(cc1)n1ccc(=C(C#N)C#N)cc1
Systematic name  (3):
  • 4-[4-(ジシアノメチレン)ピリジン-1(4H)-イル]安息香酸(R)-1-メチルヘプチル
  • (2R)-オクタン-2-イル 4-[4-(ジシアノメチリデン)-1,4-ジヒドロピリジン-1-イル]ベンゾアート
  • (2R)-octan-2-yl 4-[4-(dicyanomethylidene)-1,4-dihydropyridin-1-yl]benzoate
Other name (1):
  • 4-[4-(Dicyanomethylene)pyridin-1(4H)-yl]benzoic acid (R)-1-methylheptyl ester
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