Chem
J-GLOBAL ID：200907049221438263   Nikkaji number：J2.295.029K

(2S)-3-[(2,4-Dinitrophenyl)sulfonyl]-5-methylene-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-2-carboxylic acid methyl ester

(2S)-3-[(2,4-ジニトロフェニル)スルホニル]-5-メチレン-1,2,3,4,5,6-ヘキサヒドロアゼピノ[4,5-b]インドール-2-カルボン酸メチル
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： C21H18N2[N+]2O6[O-]2S
Molecular formula furigana： C21-H18-N4-O8-S
Molecular weight： 486.460
InChI： InChI=1S/C21H18N4O8S/c1-12-11-23(34(31,32)19-8-7-13(24(27)28)9-17(19)25(29)30)18(21(26)33-2)10-15-14-5-3-4-6-16(14)22-20(12)15/h3-9,18,22H,1,10-11H2,2H3/t18-/m0/s1
InChI key： KOPCJRIRKYTMDL-SFHVURJKSA-N
SMILES： COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(=C)CN1S(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • (2S)-3-[(2,4-ジニトロフェニル)スルホニル]-5-メチレン-1,2,3,4,5,6-ヘキサヒドロアゼピノ[4,5-b]インドール-2-カルボン酸メチル
  • メチル (2S)-3-(2,4-ジニトロベンゼンスルホニル)-5-メチリデン-1H,2H,3H,4H,5H,6H-アゼピノ[4,5-b]インドール-2-カルボキシラート
  • methyl (2S)-3-(2,4-dinitrobenzenesulfonyl)-5-methylidene-1H,2H,3H,4H,5H,6H-azepino[4,5-b]indole-2-carboxylate
Other name (1)：
  • (2S)-3-[(2,4-Dinitrophenyl)sulfonyl]-5-methylene-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-2-carboxylic acid methyl ester
Thsaurus map：
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