Chem
J-GLOBAL ID:200907066908116071   Nikkaji number:J2.714.618J

1-[4-(Trifluoromethyl)phenyl]-5-oxo-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid ethyl ester

1-[4-(トリフルオロメチル)フェニル]-5-オキソ-7,8-ジメトキシ-5H-2,3-ベンゾジアゼピン-4-カルボン酸エチル
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: C21H17F3N2O5
Molecular formula furigana: C21-H17-F3-N2-O5
Molecular weight: 434.371
InChI: InChI=1S/C21H17F3N2O5/c1-4-31-20(28)18-19(27)14-10-16(30-3)15(29-2)9-13(14)17(25-26-18)11-5-7-12(8-6-11)21(22,23)24/h5-10H,4H2,1-3H3
InChI key: UQWSANRYYLJMKJ-UHFFFAOYSA-N
SMILES: CCOC(=O)c1nnc(c2ccc(cc2)C(F)(F)F)c2cc(OC)c(OC)cc2c1=O
Systematic name  (3):
  • 1-[4-(トリフルオロメチル)フェニル]-5-オキソ-7,8-ジメトキシ-5H-2,3-ベンゾジアゼピン-4-カルボン酸エチル
  • エチル 7,8-ジメトキシ-5-オキソ-1-[4-(トリフルオロメチル)フェニル]-5H-2,3-ベンゾジアゼピン-4-カルボキシラート
  • ethyl 7,8-dimethoxy-5-oxo-1-[4-(trifluoromethyl)phenyl]-5H-2,3-benzodiazepine-4-carboxylate
Other name (1):
  • 1-[4-(Trifluoromethyl)phenyl]-5-oxo-7,8-dimethoxy-5H-2,3-benzodiazepine-4-carboxylic acid ethyl ester
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