Chem
J-GLOBAL ID：200907095307465966
Nikkaji number：J1.027.421D
(4R,5R,6R,7S)-3-Cyano-6-carbamoyl-4,7-methano-4,5,6,7-tetrahydro-2H-isoindole-5-carboxylic acid methyl ester
(4R,5R,6R,7S)-3-シアノ-6-カルバモイル-4,7-メタノ-4,5,6,7-テトラヒドロ-2H-イソインドール-5-カルボン酸メチル
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
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
Molecular formula： C13H13N3O3
Molecular formula furigana： C13-H13-N3-O3
Molecular weight： 259.265
InChI：
InChI=1S/C13H13N3O3/c1-19-13(18)11-6-2-5(10(11)12(15)17)7-4-16-8(3-14)9(6)7/h4-6,10-11,16H,2H2,1H3,(H2,15,17)/t5-,6+,10-,11-/m1/s1
InChI key：
ZUQWGZQOJUOSJW-HQZKVNAYSA-N
SMILES：
COC(=O)[C@@H]1[C@H]2C[C@@H]([C@H]1C(=O)N)c1c[nH]c(C#N)c21
Systematic name (3)：
- (4R,5R,6R,7S)-3-シアノ-6-カルバモイル-4,7-メタノ-4,5,6,7-テトラヒドロ-2H-イソインドール-5-カルボン酸メチル
- メチル (1S,7R,8R,9R)-9-カルバモイル-5-シアノ-4-アザトリシクロ[5.2.1.02,6]デカ-2,5-ジエン-8-カルボキシラート
- methyl (1S,7R,8R,9R)-9-carbamoyl-5-cyano-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-8-carboxylate
- (4R,5R,6R,7S)-3-Cyano-6-carbamoyl-4,7-methano-4,5,6,7-tetrahydro-2H-isoindole-5-carboxylic acid methyl ester
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