Chem
J-GLOBAL ID：200907058510469311   Nikkaji number：J1.899.455K

3,5-Dinitrophenyl[(2S)-2α-(2-hydroxy-1-naphthyl)-3,3-dimethyl-1-indolinyl] ketone

3,5-ジニトロフェニル[(2S)-2α-(2-ヒドロキシ-1-ナフチル)-3,3-ジメチル-1-インドリニル]ケトン
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： C27H21N[N+]2O4[O-]2
Molecular formula furigana： C27-H21-N3-O6
Molecular weight： 483.480
InChI： InChI=1S/C27H21N3O6/c1-27(2)21-9-5-6-10-22(21)28(25(27)24-20-8-4-3-7-16(20)11-12-23(24)31)26(32)17-13-18(29(33)34)15-19(14-17)30(35)36/h3-15,25,31H,1-2H3/t25-/m1/s1
InChI key： BUHMWUWAIBQUJI-RUZDIDTESA-N
SMILES： CC1(C)[C@H](N(C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])c2ccccc12)c1c(O)ccc2ccccc12
Systematic name  (3)：
  • 3,5-ジニトロフェニル[(2S)-2α-(2-ヒドロキシ-1-ナフチル)-3,3-ジメチル-1-インドリニル]ケトン
  • 1-[(2S)-1-(3,5-ジニトロベンゾイル)-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-2-イル]ナフタレン-2-オール
  • 1-[(2S)-1-(3,5-dinitrobenzoyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl]naphthalen-2-ol
Other name (1)：
  • 3,5-Dinitrophenyl[(2S)-2α-(2-hydroxy-1-naphthyl)-3,3-dimethyl-1-indolinyl] ketone
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