Chem
J-GLOBAL ID：200907042822080523   Nikkaji number：J788.052I

2-(4-Nitrophenyl)malonic acid dimethyl ester

2-(4-ニトロフェニル)マロン酸ジメチル
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： C11H11[N+]O5[O-]
Molecular formula furigana： C11-H11-N-O6
Molecular weight： 253.210
InChI： InChI=1S/C11H11NO6/c1-17-10(13)9(11(14)18-2)7-3-5-8(6-4-7)12(15)16/h3-6,9H,1-2H3
InChI key： PYUABAXAUVLRNX-UHFFFAOYSA-N
SMILES： COC(=O)C(C(=O)OC)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 2-(4-ニトロフェニル)マロン酸ジメチル
  • 1,3-ジメチル 2-(4-ニトロフェニル)プロパンジオアート
  • 1,3-dimethyl 2-(4-nitrophenyl)propanedioate
Other name (1)：
  • 2-(4-Nitrophenyl)malonic acid dimethyl ester
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