Chem
J-GLOBAL ID：200907024156824174   Nikkaji number：J1.962.999F

α-(Nitromethyl)benzylmalonic acid dimethyl ester

α-(ニトロメチル)ベンジ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： C13H15[N+]O5[O-]
Molecular formula furigana： C13-H15-N-O6
Molecular weight： 281.264
InChI： InChI=1S/C13H15NO6/c1-19-12(15)11(13(16)20-2)10(8-14(17)18)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChI key： IBGOYXMLFPKRDY-UHFFFAOYSA-N
SMILES： COC(=O)C(C(C[N+](=O)[O-])c1ccccc1)C(=O)OC
Systematic name  (9)：
  • 2-[1-フェニル-2-ニトロエチル]マロン酸ジメチル
  • 2-[α-(ニトロメチル)ベンジル]マロン酸ジメチル
  • (1-フェニル-2-ニトロエチル)マロン酸ジメチル
  • 2-(1-フェニル-2-ニトロエチル)マロン酸ジメチル
  • α-(ニトロメチル)ベンジルマロン酸ジメチル
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Other name (7)：
  • 2-[1-Phenyl-2-nitroethyl]malonic acid dimethyl ester
  • 2-[α-(Nitromethyl)benzyl]malonic acid dimethyl ester
  • (1-Phenyl-2-nitroethyl)malonic acid dimethyl ester
  • 2-(1-Phenyl-2-nitroethyl)malonic acid dimethyl ester
  • α-(Nitromethyl)benzylmalonic acid dimethyl ester
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