methyl 2-bromanyl-3-[[5-(4-chlorophenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[[5-(4-chlorophenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[5-(4-chlorophenyl)-3-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[5-(4-chlorophenyl)-3-oxo-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[5-(4-chlorophenyl)-3-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[[5-(4-chlorophenyl)-3-keto-cyclohexen-1-yl]amino]benzoic acid methyl ester Formula: C20H17BrClNO3 MolecularWeight: 434.71088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C20H17BrClNO3/c1-26-20(25)17-3-2-4-18(19(17)21)23-15-9-13(10-16(24)11-15)12-5-7-14(22)8-6-12/h2-8,11,13,23H,9-10H2,1H3