Chem
J-GLOBAL ID：200907071770363955   Nikkaji number：J2.092.712G

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

2-[(R)-1-(2-チエニル)-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： C11H13[N+]O5[O-]S
Molecular formula furigana： C11-H13-N-O6-S
Molecular weight： 287.290
InChI： InChI=1S/C11H13NO6S/c1-17-10(13)9(11(14)18-2)7(6-12(15)16)8-4-3-5-19-8/h3-5,7,9H,6H2,1-2H3/t7-/m1/s1
InChI key： YBQTXQHHLQNTSQ-SSDOTTSWSA-N
SMILES： COC(=O)C([C@H](C[N+](=O)[O-])c1cccs1)C(=O)OC
Systematic name  (4)：
  • 2-[(R)-1-(2-チエニル)-2-ニトロエチル]マロン酸ジメチル
  • (2R)-2-(2-チエニル)-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)-2-ニトロ-1-(チオフェン-2-イル)エチル]プロパンジオアート
  • 1,3-dimethyl 2-[(1R)-2-nitro-1-(thiophen-2-yl)ethyl]propanedioate
Other name (2)：
  • 2-[(R)-1-(2-Thienyl)-2-nitroethyl]malonic acid dimethyl ester
  • (2R)-2-(2-Thienyl)-3-nitropropane-1,1-dicarboxylic acid dimethyl ester
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