Chem
J-GLOBAL ID：200907002112034563   Nikkaji number：J618.558D

2-(2,4,5-Tricyanophenyl)-4,4-dimethylpentanoic acid methyl ester

2-(2,4,5-トリシアノフェニル)-4,4-ジメチルペンタン酸メチル
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： C17H17N3O2
Molecular formula furigana： C17-H17-N3-O2
Molecular weight： 295.342
InChI： InChI=1S/C17H17N3O2/c1-17(2,3)7-15(16(21)22-4)14-6-12(9-19)11(8-18)5-13(14)10-20/h5-6,15H,7H2,1-4H3
InChI key： NZNXBRRONPCZKZ-UHFFFAOYSA-N
SMILES： COC(=O)C(CC(C)(C)C)c1cc(C#N)c(cc1C#N)C#N
Systematic name  (3)：
  • 2-(2,4,5-トリシアノフェニル)-4,4-ジメチルペンタン酸メチル
  • メチル 4,4-ジメチル-2-(2,4,5-トリシアノフェニル)ペンタノアート
  • methyl 4,4-dimethyl-2-(2,4,5-tricyanophenyl)pentanoate
Other name (1)：
  • 2-(2,4,5-Tricyanophenyl)-4,4-dimethylpentanoic acid methyl ester
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