Chem
J-GLOBAL ID：200907002168004160   Nikkaji number：J861.870D

3,3a,4,5-Tetrahydro-5-oxo-6-(2-pyridinyl)pentalene-2,2(1H)-dicarboxylic acid diethyl ester

3,3a,4,5-テトラヒドロ-5-オキソ-6-(2-ピリジニル)ペンタレン-2,2(1H)-ジカルボン酸ジエチル
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： C19H21NO5
Molecular formula furigana： C19-H21-N-O5
Molecular weight： 343.379
InChI： InChI=1S/C19H21NO5/c1-3-24-17(22)19(18(23)25-4-2)10-12-9-15(21)16(13(12)11-19)14-7-5-6-8-20-14/h5-8,12H,3-4,9-11H2,1-2H3
InChI key： SMTJUTUVWXLNMA-UHFFFAOYSA-N
SMILES： CCOC(=O)C1(CC2CC(=O)C(=C2C1)c1ccccn1)C(=O)OCC
Systematic name  (3)：
  • 3,3a,4,5-テトラヒドロ-5-オキソ-6-(2-ピリジニル)ペンタレン-2,2(1H)-ジカルボン酸ジエチル
  • 2,2-ジエチル 5-オキソ-6-(ピリジン-2-イル)-1,2,3,3a,4,5-ヘキサヒドロペンタレン-2,2-ジカルボキシラート
  • 2,2-diethyl 5-oxo-6-(pyridin-2-yl)-1,2,3,3a,4,5-hexahydropentalene-2,2-dicarboxylate
Other name (1)：
  • 3,3a,4,5-Tetrahydro-5-oxo-6-(2-pyridinyl)pentalene-2,2(1H)-dicarboxylic acid diethyl ester
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