dimethyl 4-[2-(4-chlorophenyl)-2-oxidanylidene-1-phenyl-ethyl]imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 4-[2-(4-chlorophenyl)-2-oxidanylidene-1-phenyl-ethyl]imidazole-4,5-dicarboxylate Openeye Name: dimethyl 4-[2-(4-chlorophenyl)-2-oxo-1-phenyl-ethyl]imidazole-4,5-dicarboxylate CAS Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]imidazole-4,5-dicarboxylate Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-1-phenyl-ethyl]imidazole-4,5-dicarboxylic acid dimethyl ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=NC1(C(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=NC=NC1(C(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H17ClN2O5/c1-28-19(26)18-21(20(27)29-2,24-12-23-18)16(13-6-4-3-5-7-13)17(25)14-8-10-15(22)11-9-14/h3-12,16H,1-2H3