Chem
J-GLOBAL ID：200907094104251409   Nikkaji number：J1.514.090I

(3aR)-2,6-Dioxo-5-benzyl-2,3,3aα,3b,6,7aα,8,8aα-octahydro-7-oxa-4-aza-1H-cyclopenta[a]indene-3bα-carbonitrile

(1S,2R,6S,8S)-11-ベンジル-4,10-ジオキソ-9-オキサ-12-アザトリシクロ[6.4.0.02,6]ドデカ-11-エン-1-カルボニトリル
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： C18H16N2O3
Molecular formula furigana： C18-H16-N2-O3
Molecular weight： 308.337
InChI： InChI=1S/C18H16N2O3/c19-10-18-14-9-13(21)7-12(14)8-16(18)23-17(22)15(20-18)6-11-4-2-1-3-5-11/h1-5,12,14,16H,6-9H2/t12-,14-,16+,18-/m1/s1
InChI key： AFUAZLNXLBNMPA-JDIZFGSQSA-N
SMILES： O=C1C[C@@H]2C[C@@H]3OC(=O)C(=N[C@]3(C#N)[C@@H]2C1)Cc1ccccc1
Systematic name  (3)：
  • (3aR)-2,6-ジオキソ-5-ベンジル-2,3,3aα,3b,6,7aα,8,8aα-オクタヒドロ-7-オキサ-4-アザ-1H-シクロペンタ[a]インデン-3bα-カルボニトリル
  • (1S,2R,6S,8S)-11-ベンジル-4,10-ジオキソ-9-オキサ-12-アザトリシクロ[6.4.0.02,6]ドデカ-11-エン-1-カルボニトリル
  • (1S,2R,6S,8S)-11-benzyl-4,10-dioxo-9-oxa-12-azatricyclo[6.4.0.02,6]dodec-11-ene-1-carbonitrile
Other name (1)：
  • (3aR)-2,6-Dioxo-5-benzyl-2,3,3aα,3b,6,7aα,8,8aα-octahydro-7-oxa-4-aza-1H-cyclopenta[a]indene-3bα-carbonitrile
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