(5R)-5-(4-methoxyphenyl)-3-oxidanylidene-2-(3-oxidanylpropyliminomethyl)cyclohexen-1-olate

Systemtic Name: (5R)-5-(4-methoxyphenyl)-3-oxidanylidene-2-(3-oxidanylpropyliminomethyl)cyclohexen-1-olate Openeye Name: (5R)-2-(3-hydroxypropyliminomethyl)-5-(4-methoxyphenyl)-3-oxo-cyclohexen-1-olate CAS Name: (5R)-2-(3-hydroxypropyliminomethyl)-5-(4-methoxyphenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5R)-2-(3-hydroxypropyliminomethyl)-5-(4-methoxyphenyl)-3-oxocyclohexen-1-olate Traditional Name: (5R)-2-(3-hydroxypropyliminomethyl)-3-keto-5-(4-methoxyphenyl)cyclohexen-1-olate Formula: C17H20NO4- MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C=NCCCO)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-22-14-5-3-12(4-6-14)13-9-16(20)15(17(21)10-13)11-18-7-2-8-19/h3-6,11,13,19-20H,2,7-10H2,1H3/p-1/t13-/m1/s1