Chem
J-GLOBAL ID：200907002790549441   Nikkaji number：J2.092.710K

[(R)-1-(4-Fluorophenyl)-2-nitroethyl]malonic acid dimethyl ester

2-[(R)-α-(ニトロメチル)-4-フルオロベンジル]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： C13H14F[N+]O5[O-]
Molecular formula furigana： C13-H14-F-N-O6
Molecular weight： 299.254
InChI： InChI=1S/C13H14FNO6/c1-20-12(16)11(13(17)21-2)10(7-15(18)19)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3/t10-/m0/s1
InChI key： SNAYWJCAGLBWEU-JTQLQIEISA-N
SMILES： COC(=O)C([C@@H](C[N+](=O)[O-])c1ccc(F)cc1)C(=O)OC
Systematic name  (5)：
  • 2-[(R)-α-(ニトロメチル)-4-フルオロベンジル]マロン酸ジメチル
  • [(R)-1-(4-フルオロフェニル)-2-ニトロエチル]マロン酸ジメチル
  • (2R)-2-(4-フルオロフェニル)-3-ニトロプロパン-1,1-ジカルボン酸ジメチル
  • 1,3-ジメチル 2-[(1R)-1-(4-フルオロフェニル)-2-ニトロエチル]プロパンジオアート
  • 1,3-dimethyl 2-[(1R)-1-(4-fluorophenyl)-2-nitroethyl]propanedioate
Other name (3)：
  • 2-[(R)-α-(Nitromethyl)-4-fluorobenzyl]malonic acid dimethyl ester
  • [(R)-1-(4-Fluorophenyl)-2-nitroethyl]malonic acid dimethyl ester
  • (2R)-2-(4-Fluorophenyl)-3-nitropropane-1,1-dicarboxylic acid dimethyl ester
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