(5S)-2-[2-(4-chlorophenyl)ethyliminomethyl]-5-(3-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-2-[2-(4-chlorophenyl)ethyliminomethyl]-5-(3-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-chlorophenyl)ethyliminomethyl]-5-(3-methoxyphenyl)-3-oxo-cyclohexen-1-olate CAS Name: (5S)-2-[2-(4-chlorophenyl)ethyliminomethyl]-5-(3-methoxyphenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-chlorophenyl)ethyliminomethyl]-5-(3-methoxyphenyl)-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-chlorophenyl)ethyliminomethyl]-3-keto-5-(3-methoxyphenyl)cyclohexen-1-olate Formula: C22H21ClNO3- MolecularWeight: 382.86004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(=C(C(=O)C2)C=NCCC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CC(=C(C(=O)C2)C=NCCC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C22H22ClNO3/c1-27-19-4-2-3-16(11-19)17-12-21(25)20(22(26)13-17)14-24-10-9-15-5-7-18(23)8-6-15/h2-8,11,14,17,25H,9-10,12-13H2,1H3/p-1/t17-/m0/s1