(5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate

Systemtic Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C18H18N3O2- MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1[O-])C=NCCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](CC(=O)C(=C1[O-])C=NCCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2/c22-17-8-14(13-4-2-1-3-5-13)9-18(23)16(17)11-19-7-6-15-10-20-12-21-15/h1-5,10-12,14,22H,6-9H2,(H,20,21)/p-1/t14-/m1/s1