(5S)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyliminomethyl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyliminomethyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyliminomethyl)-3-oxo-cyclohexen-1-olate CAS Name: (5S)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyliminomethyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyliminomethyl)-3-oxocyclohexen-1-olate Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyliminomethyl)-3-keto-cyclohexen-1-olate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=C(C(=O)C2)C=NCCO)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-22-16-4-3-11(9-17(16)23-2)12-7-14(20)13(15(21)8-12)10-18-5-6-19/h3-4,9-10,12,19-20H,5-8H2,1-2H3/p-1/t12-/m0/s1