Chem
J-GLOBAL ID：200907069183121715   Nikkaji number：J2.575.913C

2-[1-(3-Nitrophenyl)-3-oxo-3-phenylpropyl]malonic acid diethyl ester

2-[1-(3-ニトロフェニル)-3-オキソ-3-フェニルプロピル]マロン酸ジエチル
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： C22H23[N+]O6[O-]
Molecular formula furigana： C22-H23-N-O7
Molecular weight： 413.426
InChI： InChI=1S/C22H23NO7/c1-3-29-21(25)20(22(26)30-4-2)18(14-19(24)15-9-6-5-7-10-15)16-11-8-12-17(13-16)23(27)28/h5-13,18,20H,3-4,14H2,1-2H3
InChI key： AOJXKRPPAILAJD-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(CC(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])C(=O)OCC
Systematic name  (3)：
  • 2-[1-(3-ニトロフェニル)-3-オキソ-3-フェニルプロピル]マロン酸ジエチル
  • 1,3-ジエチル 2-[1-(3-ニトロフェニル)-3-オキソ-3-フェニルプロピル]プロパンジオアート
  • 1,3-diethyl 2-[1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]propanedioate
Other name (1)：
  • 2-[1-(3-Nitrophenyl)-3-oxo-3-phenylpropyl]malonic acid diethyl ester
Thsaurus map：
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