Chem
J-GLOBAL ID：200907025753528205   Nikkaji number：J793.002J

1-Methyl-2-(ethoxycarbonyl)-4-nitro-1H-pyrrole-3-acetic acid ethyl ester

1-メチル-2-(エトキシカルボニル)-4-ニトロ-1H-ピロール-3-酢酸エチル
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： C12H16N[N+]O5[O-]
Molecular formula furigana： C12-H16-N2-O6
Molecular weight： 284.268
InChI： InChI=1S/C12H16N2O6/c1-4-19-10(15)6-8-9(14(17)18)7-13(3)11(8)12(16)20-5-2/h7H,4-6H2,1-3H3
InChI key： GQXSMDKAAVKHKT-UHFFFAOYSA-N
SMILES： CCOC(=O)Cc1c(C(=O)OCC)n(C)cc1[N+](=O)[O-]
Systematic name  (4)：
  • 1-メチル-2-(エトキシカルボニル)-4-ニトロ-1H-ピロール-3-酢酸エチル
  • 1-メチル-3-(2-エトキシ-2-オキソエチル)-4-ニトロ-1H-ピロール-2-カルボン酸エチル
  • エチル 3-(2-エトキシ-2-オキソエチル)-1-メチル-4-ニトロ-1H-ピロール-2-カルボキシラート
  • ethyl 3-(2-ethoxy-2-oxoethyl)-1-methyl-4-nitro-1H-pyrrole-2-carboxylate
Other name (2)：
  • 1-Methyl-2-(ethoxycarbonyl)-4-nitro-1H-pyrrole-3-acetic acid ethyl ester
  • 1-Methyl-3-(2-ethoxy-2-oxoethyl)-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester
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