6-(2-cyanoethyl)-2-diazonio-6-phenyl-cyclohexen-1-olate

Systemtic Name: 6-(2-cyanoethyl)-2-diazonio-6-phenyl-cyclohexen-1-olate Openeye Name: 6-(2-cyanoethyl)-2-diazonio-6-phenyl-cyclohexen-1-olate CAS Name: 6-(2-cyanoethyl)-2-diazonio-6-phenyl-1-cyclohexenolate IUPAC Name: 6-(2-cyanoethyl)-2-diazonio-6-phenylcyclohexen-1-olate Traditional Name: 6-(2-cyanoethyl)-2-diazonio-6-phenyl-cyclohexen-1-olate Formula: C15H15N3O MolecularWeight: 253.2991

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(C1)(CCC#N)C2=CC=CC=C2)[O-])[N+]#N

Isomeric SMILES

C1CC(=C(C(C1)(CCC#N)C2=CC=CC=C2)[O-])[N+]#N

InChI

InChI=1S/C15H15N3O/c16-11-5-10-15(12-6-2-1-3-7-12)9-4-8-13(18-17)14(15)19/h1-3,6-7H,4-5,8-10H2