8-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile

Systemtic Name: 8-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile Openeye Name: 5-benzyl-8-[(E)-N-hydroxy-C-methyl-carbonimidoyl]-5-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile CAS Name: 8-[(1E)-1-hydroxyiminoethyl]-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile IUPAC Name: 5-benzyl-8-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile Traditional Name: 8-acetohydroximoyl-5-benzyl-5-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C1CC2CN(C1C(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C/C(=N\O)/C1CC2CN(C1C(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O/c1-12(19-21)16-8-14-7-15(9-18)17(16)20(11-14)10-13-5-3-2-4-6-13/h2-7,14,16-17,21H,8,10-11H2,1H3/b19-12+