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

Systemtic Name: (5S)-2-[(4-chlorophenyl)methyliminomethyl]-5-(3-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-[(4-chlorophenyl)methyliminomethyl]-5-(3-methoxyphenyl)-3-oxo-cyclohexen-1-olate CAS Name: (5S)-2-[(4-chlorophenyl)methyliminomethyl]-5-(3-methoxyphenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-[(4-chlorophenyl)methyliminomethyl]-5-(3-methoxyphenyl)-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[(4-chlorobenzyl)iminomethyl]-3-keto-5-(3-methoxyphenyl)cyclohexen-1-olate Formula: C21H19ClNO3- MolecularWeight: 368.83346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(=C(C(=O)C2)C=NCC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CC(=C(C(=O)C2)C=NCC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C21H20ClNO3/c1-26-18-4-2-3-15(9-18)16-10-20(24)19(21(25)11-16)13-23-12-14-5-7-17(22)8-6-14/h2-9,13,16,24H,10-12H2,1H3/p-1/t16-/m0/s1