2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C18H20N3O2- MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCCC2=NC3=CC=CC=C3N2)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCCC2=NC3=CC=CC=C3N2)[O-])C

InChI

InChI=1S/C18H21N3O2/c1-18(2)9-15(22)12(16(23)10-18)11-19-8-7-17-20-13-5-3-4-6-14(13)21-17/h3-6,11,22H,7-10H2,1-2H3,(H,20,21)/p-1