Chem
J-GLOBAL ID：201607006360553365   Nikkaji number：J3.533.422J

1-Methyl-2-phenyl-4α-(nitromethyl)-4β-hydroxy-5(4H)-oxo-1H-pyrrole-3-carboxylic acid ethyl ester

1-メチル-2-フェニル-4α-(ニトロメチル)-4β-ヒドロキシ-5(4H)-オキソ-1H-ピロール-3-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： C15H16N[N+]O5[O-]
Molecular formula furigana： C15-H16-N2-O6
Molecular weight： 320.301
InChI： InChI=1S/C15H16N2O6/c1-3-23-13(18)11-12(10-7-5-4-6-8-10)16(2)14(19)15(11,20)9-17(21)22/h4-8,20H,3,9H2,1-2H3/t15-/m1/s1
InChI key： GGTDGVUNCXXKCX-OAHLLOKOSA-N
SMILES： CCOC(=O)C1=C(N(C)C(=O)[C@@]1(O)C[N+](=O)[O-])c1ccccc1
Systematic name  (3)：
  • 1-メチル-2-フェニル-4α-(ニトロメチル)-4β-ヒドロキシ-5(4H)-オキソ-1H-ピロール-3-カルボン酸エチル
  • エチル (4S)-4-ヒドロキシ-1-メチル-4-(ニトロメチル)-5-オキソ-2-フェニル-4,5-ジヒドロ-1H-ピロール-3-カルボキシラート
  • ethyl (4S)-4-hydroxy-1-methyl-4-(nitromethyl)-5-oxo-2-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Other name (1)：
  • 1-Methyl-2-phenyl-4α-(nitromethyl)-4β-hydroxy-5(4H)-oxo-1H-pyrrole-3-carboxylic acid ethyl ester
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