methyl 2-bromanyl-3-[[4-(4-chlorophenyl)-6-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[[4-(4-chlorophenyl)-6-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[4-(4-chlorophenyl)-6-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[4-(4-chlorophenyl)-6-oxo-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[4-(4-chlorophenyl)-6-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[[4-(4-chlorophenyl)-6-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=CCC(CC2=O)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CCC(CC2=O)C3=CC=C(C=C3)Cl)Br

InChI

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