Chem
J-GLOBAL ID:200907049421056403   Nikkaji number:J837.615H

Dibenzoic acid (1S,2R)-1-cyano-3-(methylamino)-3-oxo-1,2-propanediyl ester

二安息香酸(1S,2R)-1-シアノ-3-(メチルアミノ)-3-オキソ-1,2-プロパンジイル
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: C19H16N2O5
Molecular formula furigana: C19-H16-N2-O5
Molecular weight: 352.346
InChI: InChI=1S/C19H16N2O5/c1-21-17(22)16(26-19(24)14-10-6-3-7-11-14)15(12-20)25-18(23)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,21,22)/t15-,16+/m0/s1
InChI key: YKMWWYQHQCBFKN-JKSUJKDBSA-N
SMILES: CNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C#N
Systematic name  (3):
  • 二安息香酸(1S,2R)-1-シアノ-3-(メチルアミノ)-3-オキソ-1,2-プロパンジイル
  • (1R,2S)-2-(ベンゾイルオキシ)-2-シアノ-1-(メチルカルバモイル)エチル ベンゾアート
  • (1R,2S)-2-(benzoyloxy)-2-cyano-1-(methylcarbamoyl)ethyl benzoate
Other name (1):
  • Dibenzoic acid (1S,2R)-1-cyano-3-(methylamino)-3-oxo-1,2-propanediyl ester
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