Chem
J-GLOBAL ID:200907017637883879   Nikkaji number:J2.745.283C

(2S)-2β-(4-Nitrophenyl)-3α-(benzoylamino)-3-methyl-4-oxo-9,10-dimethoxy-1,3,4,6,7,11bβ-hexahydro-2H-benzo[a]quinolizine-6,6-dicarboxylic acid diethyl ester

(2S)-2β-(4-ニトロフェニル)-3α-(ベンゾイルアミノ)-3-メチル-4-オキソ-9,10-ジメトキシ-1,3,4,6,7,11bβ-ヘキサヒドロ-2H-ベンゾ[a]キノリジン-6,6-ジカルボン酸ジエチル
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: C35H37N2[N+]O9[O-]
Molecular formula furigana: C35-H37-N3-O10
Molecular weight: 659.692
InChI: InChI=1S/C35H37N3O10/c1-6-47-32(41)35(33(42)48-7-2)20-23-17-28(45-4)29(46-5)18-25(23)27-19-26(21-13-15-24(16-14-21)38(43)44)34(3,31(40)37(27)35)36-30(39)22-11-9-8-10-12-22/h8-18,26-27H,6-7,19-20H2,1-5H3,(H,36,39)/t26-,27-,34-/m0/s1
InChI key: KBKUDDVISMAIEA-SBCJZHDBSA-N
SMILES: CCOC(=O)C1(Cc2cc(OC)c(OC)cc2[C@@H]2C[C@@H](c3ccc(cc3)[N+](=O)[O-])[C@](C)(NC(=O)c3ccccc3)C(=O)N12)C(=O)OCC
Systematic name  (3):
  • (2S)-2β-(4-ニトロフェニル)-3α-(ベンゾイルアミノ)-3-メチル-4-オキソ-9,10-ジメトキシ-1,3,4,6,7,11bβ-ヘキサヒドロ-2H-ベンゾ[a]キノリジン-6,6-ジカルボン酸ジエチル
  • 6,6-ジエチル (2S,3S,11bS)-3-ベンズアミド-9,10-ジメトキシ-3-メチル-2-(4-ニトロフェニル)-4-オキソ-1H,2H,3H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-6,6-ジカルボキシラート
  • 6,6-diethyl (2S,3S,11bS)-3-benzamido-9,10-dimethoxy-3-methyl-2-(4-nitrophenyl)-4-oxo-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinoline-6,6-dicarboxylate
Other name (1):
  • (2S)-2β-(4-Nitrophenyl)-3α-(benzoylamino)-3-methyl-4-oxo-9,10-dimethoxy-1,3,4,6,7,11bβ-hexahydro-2H-benzo[a]quinolizine-6,6-dicarboxylic acid diethyl ester
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