ethyl 4-(4-bromophenyl)-6-(3-chlorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-6-(3-chlorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-6-(3-chlorophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-bromophenyl)-6-(3-chlorophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-6-(3-chlorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-bromophenyl)-6-(3-chlorophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H18BrClO3 MolecularWeight: 433.72282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18BrClO3/c1-2-26-21(25)20-18(14-4-3-5-17(23)10-14)11-15(12-19(20)24)13-6-8-16(22)9-7-13/h3-10,12,18,20H,2,11H2,1H3