diethyl 3-(4-chlorophenyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-4,5-dicarboxylate

Systemtic Name: diethyl 3-(4-chlorophenyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-4,5-dicarboxylate Openeye Name: diethyl 3-(4-chlorophenyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-4,5-dicarboxylate CAS Name: 3-(4-chlorophenyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(4-chlorophenyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-4,5-dicarboxylate Traditional Name: 3-(4-chlorophenyl)-2-keto-6-phenyl-1,6-dihydropyrimidine-4,5-dicarboxylic acid diethyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H21ClN2O5/c1-3-29-20(26)17-18(14-8-6-5-7-9-14)24-22(28)25(19(17)21(27)30-4-2)16-12-10-15(23)11-13-16/h5-13,18H,3-4H2,1-2H3,(H,24,28)