(5S)-5-(3,4-dimethoxyphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-5-(3,4-dimethoxyphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-5-(3,4-dimethoxyphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-cyclohexen-1-olate CAS Name: (5S)-5-(3,4-dimethoxyphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-5-(3,4-dimethoxyphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxocyclohexen-1-olate Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-keto-cyclohexen-1-olate Formula: C20H22N3O4- MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=C(C(=O)C2)C=NCCC3=CN=CN3)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=C(C(=O)C2)C=NCCC3=CN=CN3)[O-])OC

InChI

InChI=1S/C20H23N3O4/c1-26-19-4-3-13(9-20(19)27-2)14-7-17(24)16(18(25)8-14)11-21-6-5-15-10-22-12-23-15/h3-4,9-12,14,24H,5-8H2,1-2H3,(H,22,23)/p-1/t14-/m0/s1