Chem
J-GLOBAL ID:200907049237146181   Nikkaji number:J1.104.263E

2-(1-Isoquinolyl)-3-anilino-5-oxo-3-isoxazoline-4-carboxylic acid ethyl ester

2-(1-イソキノリル)-3-アニリノ-5-オキソ-3-イソオキサゾリン-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: C21H17N3O4
Molecular formula furigana: C21-H17-N3-O4
Molecular weight: 375.384
InChI: InChI=1S/C21H17N3O4/c1-2-27-20(25)17-19(23-15-9-4-3-5-10-15)24(28-21(17)26)18-16-11-7-6-8-14(16)12-13-22-18/h3-13,23H,2H2,1H3
InChI key: ACDYCNJEVINXIG-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c(Nc2ccccc2)n(oc1=O)c1nccc2ccccc12
Systematic name  (4):
  • 2-(1-イソキノリル)-3-アニリノ-5-オキソ-3-イソオキサゾリン-4-カルボン酸エチル
  • 2-(イソキノリン-1-イル)-3-(フェニルアミノ)-5-オキソ-2,5-ジヒドロイソオキサゾール-4-カルボン酸エチル
  • エチル 2-(イソキノリン-1-イル)-5-オキソ-3-(フェニルアミノ)-2,5-ジヒドロ-1,2-オキサゾール-4-カルボキシラート
  • ethyl 2-(isoquinolin-1-yl)-5-oxo-3-(phenylamino)-2,5-dihydro-1,2-oxazole-4-carboxylate
Other name (2):
  • 2-(1-Isoquinolyl)-3-anilino-5-oxo-3-isoxazoline-4-carboxylic acid ethyl ester
  • 2-(Isoquinoline-1-yl)-3-(phenylamino)-5-oxo-2,5-dihydroisoxazole-4-carboxylic acid ethyl ester
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