Chem
J-GLOBAL ID：200907013479813978
Nikkaji number：J1.514.083F
(4aS)-2-Oxo-3-benzyl-4a,5,6,7,8,8aα-hexahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
(4aS)-2-オキソ-3-ベンジル-4a,5,6,7,8,8aα-ヘキサヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
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： C16H16N2O2
Molecular formula furigana： C16-H16-N2-O2
Molecular weight： 268.316
InChI：
InChI=1S/C16H16N2O2/c17-11-16-9-5-4-8-14(16)20-15(19)13(18-16)10-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-10H2/t14-,16+/m1/s1
InChI key：
UVOMUUSXDYXHRV-ZBFHGGJFSA-N
SMILES：
O=C1O[C@@H]2CCCC[C@]2(N=C1Cc1ccccc1)C#N
Systematic name (3)：
- (4aS)-2-オキソ-3-ベンジル-4a,5,6,7,8,8aα-ヘキサヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
- (4aS,8aR)-3-ベンジル-2-オキソ-4a,5,6,7,8,8a-ヘキサヒドロ-2H-1,4-ベンゾオキサジン-4a-カルボニトリル
- (4aS,8aR)-3-benzyl-2-oxo-4a,5,6,7,8,8a-hexahydro-2H-1,4-benzoxazine-4a-carbonitrile
- (4aS)-2-Oxo-3-benzyl-4a,5,6,7,8,8aα-hexahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
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