Chem
J-GLOBAL ID：200907098180297669   Nikkaji number：J2.092.711I

2-[(R)-1-(1,3-Benzodioxole-5-yl)-2-nitroethyl]malonic acid dimethyl ester

2-[(R)-1-(1,3-ベンゾジオキソール-5-イル)-2-ニトロエチル]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： C14H15[N+]O7[O-]
Molecular formula furigana： C14-H15-N-O8
Molecular weight： 325.273
InChI： InChI=1S/C14H15NO8/c1-20-13(16)12(14(17)21-2)9(6-15(18)19)8-3-4-10-11(5-8)23-7-22-10/h3-5,9,12H,6-7H2,1-2H3/t9-/m0/s1
InChI key： KRRLFSSVIQUINM-VIFPVBQESA-N
SMILES： COC(=O)C([C@@H](C[N+](=O)[O-])c1ccc2OCOc2c1)C(=O)OC
Systematic name  (4)：
  • 2-[(R)-1-(1,3-ベンゾジオキソール-5-イル)-2-ニトロエチル]マロン酸ジメチル
  • (2R)-2-(1,3-ベンゾジオキソール-5-イル)-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-(2H-1,3-ベンゾジオキソール-5-イル)-2-ニトロエチル]プロパンジオアート
  • 1,3-dimethyl 2-[(1R)-1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
Other name (2)：
  • 2-[(R)-1-(1,3-Benzodioxole-5-yl)-2-nitroethyl]malonic acid dimethyl ester
  • (2R)-2-(1,3-Benzodioxole-5-yl)-3-nitropropane-1,1-dicarboxylic acid dimethyl ester
Thsaurus map：
Thesaurus Map

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