6-methyl-1-oxidanyl-3-oxidanylidene-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Systemtic Name: 6-methyl-1-oxidanyl-3-oxidanylidene-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Openeye Name: 1-hydroxy-6-methyl-3-oxo-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile CAS Name: 1-hydroxy-6-methyl-3-oxo-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile IUPAC Name: 1-hydroxy-6-methyl-3-oxo-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Traditional Name: 1-hydroxy-3-keto-6-methyl-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2(C(=O)NC1(CC2(C#N)C#N)O)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1C(C2(C(=O)NC1(CC2(C#N)C#N)O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2/c1-11-13(12-5-3-2-4-6-12)16(10-20)14(22)21-17(11,23)7-15(16,8-18)9-19/h2-6,11,13,23H,7H2,1H3,(H,21,22)