Chem
J-GLOBAL ID:200907046016517232
Nikkaji number:J1.229.322D
(aR)-(3-Nitrophenyl)[2β-(2-hydroxy-1-naphthyl)-3,3-dimethylindoline-1-yl] ketone
(aR)-(3-ニトロフェニル)[2β-(2-ヒドロキシ-1-ナフチル)-3,3-ジメチルインドリン-1-イル]ケトン
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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:
C27 H22 N[N+]O3 [O-]
Molecular formula furigana:
C27-H22-N2-O4
Molecular weight:
438.483
InChI:
InChI=1S/C27H22N2O4/c1-27(2)21-12-5-6-13-22(21)28(26(31)18-9-7-10-19(16-18)29(32)33)25(27)24-20-11-4-3-8-17(20)14-15-23(24)30/h3-16,25,30H,1-2H3/t25-/m0/s1
InChI key:
NPXCXJJHJOCZER-VWLOTQADSA-N
SMILES:
CC1(C)[C@@H](N(C(=O)c2cccc(c2)[N+](=O)[O-])c2ccccc12)c1c(O)ccc2ccccc12
Systematic name (1):
(aR)-(3-ニトロフェニル)[2β-(2-ヒドロキシ-1-ナフチル)-3,3-ジメチルインドリン-1-イル]ケトン
Other name (1):
(aR)-(3-Nitrophenyl)[2β-(2-hydroxy-1-naphthyl)-3,3-dimethylindoline-1-yl] ketone
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