Chem
J-GLOBAL ID：200907036253089088   Nikkaji number：J897.818B

1-Benzyl-3-(trifluoromethyl)-1H-pyrrole-2,4-dicarboxylic acid 4-ethyl ester

1-ベンジル-3-(トリフルオロメチル)-1H-ピロール-2,4-ジカルボン酸4-エチル
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： C16H14F3NO4
Molecular formula furigana： C16-H14-F3-N-O4
Molecular weight： 341.286
InChI： InChI=1S/C16H14F3NO4/c1-2-24-15(23)11-9-20(8-10-6-4-3-5-7-10)13(14(21)22)12(11)16(17,18)19/h3-7,9H,2,8H2,1H3,(H,21,22)
InChI key： XYRJCXLXWXIBBG-UHFFFAOYSA-N
SMILES： CCOC(=O)c1cn(Cc2ccccc2)c(C(=O)O)c1C(F)(F)F
Systematic name  (3)：
  • 1-ベンジル-3-(トリフルオロメチル)-1H-ピロール-2,4-ジカルボン酸4-エチル
  • 1-ベンジル-4-(エトキシカルボニル)-3-(トリフルオロメチル)-1H-ピロール-2-カルボン酸
  • 1-benzyl-4-(ethoxycarbonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
Other name (1)：
  • 1-Benzyl-3-(trifluoromethyl)-1H-pyrrole-2,4-dicarboxylic acid 4-ethyl ester
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