Chem
J-GLOBAL ID:200907025352102000   Nikkaji number:J2.711.778C

2-[(R)-α-(Nitromethyl)benzyl]-2-fluoromalonic acid dimethyl ester

2-[(R)-α-(ニトロメチル)ベンジル]-2-フルオロマロン酸ジメチル
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: C13H14F[N+]O5[O-]
Molecular formula furigana: C13-H14-F-N-O6
Molecular weight: 299.254
InChI: InChI=1S/C13H14FNO6/c1-20-11(16)13(14,12(17)21-2)10(8-15(18)19)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChI key: KJZBALBPQQWOMQ-JTQLQIEISA-N
SMILES: COC(=O)C(F)([C@@H](C[N+](=O)[O-])c1ccccc1)C(=O)OC
Systematic name  (3):
  • 2-[(R)-α-(ニトロメチル)ベンジル]-2-フルオロマロン酸ジメチル
  • 1,3-ジメチル 2-フルオロ-2-[(1R)-2-ニトロ-1-フェニルエチル]プロパンジオアート
  • 1,3-dimethyl 2-fluoro-2-[(1R)-2-nitro-1-phenylethyl]propanedioate
Other name (1):
  • 2-[(R)-α-(Nitromethyl)benzyl]-2-fluoromalonic acid dimethyl ester
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