Chem
J-GLOBAL ID：200907098784763978   Nikkaji number：J1.217.630I

1,2,4a,5,6,8a-Hexahydro-4aα,5-dicyano-6-oxo-7,8-dichloro-8aα-hydroxy-1β,5β-methanoisoquinoline-1,3-dicarboxylic acid dimethyl ester

1,2,4a,5,6,8a-ヘキサヒドロ-4aα,5-ジシアノ-6-オキソ-7,8-ジクロロ-8aα-ヒドロキシ-1β,5β-メタノイソキノリン-1,3-ジカルボン酸ジメチル
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： C16H11Cl2N3O6
Molecular formula furigana： C16-H11-CL2-N3-O6
Molecular weight： 412.180
InChI： InChI=1S/C16H11Cl2N3O6/c1-26-11(23)7-3-14(6-20)13(5-19)4-15(21-7,12(24)27-2)16(14,25)9(18)8(17)10(13)22/h3,21,25H,4H2,1-2H3/t13-,14-,15?,16+/m1/s1
InChI key： GNJYZZNNCWGSLM-GXRBRPDZSA-N
SMILES： COC(=O)C1=C[C@]2(C#N)[C@@]3(O)C(=C(Cl)C(=O)[C@@]2(C[C@@]3(N1)C(=O)OC)C#N)Cl
Systematic name  (3)：
  • 1,2,4a,5,6,8a-ヘキサヒドロ-4aα,5-ジシアノ-6-オキソ-7,8-ジクロロ-8aα-ヒドロキシ-1β,5β-メタノイソキノリン-1,3-ジカルボン酸ジメチル
  • 3,5-ジメチル (1R,3R,7S,8S)-9,10-ジクロロ-1,7-ジシアノ-8-ヒドロキシ-11-オキソ-4-アザトリシクロ[5.4.0.03,8]ウンデカ-5,9-ジエン-3,5-ジカルボキシラート
  • 3,5-dimethyl (1R,3R,7S,8S)-9,10-dichloro-1,7-dicyano-8-hydroxy-11-oxo-4-azatricyclo[5.4.0.03,8]undeca-5,9-diene-3,5-dicarboxylate
Other name (1)：
  • 1,2,4a,5,6,8a-Hexahydro-4aα,5-dicyano-6-oxo-7,8-dichloro-8aα-hydroxy-1β,5β-methanoisoquinoline-1,3-dicarboxylic acid dimethyl ester
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