2-(1H-benzimidazol-2-ylmethyliminomethyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-(1H-benzimidazol-2-ylmethyliminomethyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-(1H-benzimidazol-2-ylmethyliminomethyl)-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-(1H-benzimidazol-2-ylmethyliminomethyl)-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-(1H-benzimidazol-2-ylmethyliminomethyl)-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-(1H-benzimidazol-2-ylmethyliminomethyl)-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C17H18N3O2- MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCC2=NC3=CC=CC=C3N2)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCC2=NC3=CC=CC=C3N2)[O-])C

InChI

InChI=1S/C17H19N3O2/c1-17(2)7-14(21)11(15(22)8-17)9-18-10-16-19-12-5-3-4-6-13(12)20-16/h3-6,9,21H,7-8,10H2,1-2H3,(H,19,20)/p-1