Chem
J-GLOBAL ID：200907006179737955   Nikkaji number：J1.271.972H

2-Cyano-3-(4-fluorophenyl)glutaric acid dimethyl ester

2-シアノ-3-(4-フルオロフェニル)グルタル酸ジメチル
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： C14H14FNO4
Molecular formula furigana： C14-H14-F-N-O4
Molecular weight： 279.267
InChI： InChI=1S/C14H14FNO4/c1-19-13(17)7-11(12(8-16)14(18)20-2)9-3-5-10(15)6-4-9/h3-6,11-12H,7H2,1-2H3
InChI key： PGSQLHYNXBOFEI-UHFFFAOYSA-N
SMILES： COC(=O)CC(C(C#N)C(=O)OC)c1ccc(F)cc1
Systematic name  (3)：
  • 2-シアノ-3-(4-フルオロフェニル)グルタル酸ジメチル
  • 1,5-ジメチル 2-シアノ-3-(4-フルオロフェニル)ペンタンジオアート
  • 1,5-dimethyl 2-cyano-3-(4-fluorophenyl)pentanedioate
Other name (1)：
  • 2-Cyano-3-(4-fluorophenyl)glutaric acid dimethyl ester
Regulation number (1)：
  • 4-(7)-1903
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