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

Systemtic Name: diethyl 3-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate Openeye Name: diethyl 3-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate CAS Name: 3-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate Traditional Name: 3-(4-chlorophenyl)-2-keto-6-(4-nitrophenyl)-1,6-dihydropyrimidine-4,5-dicarboxylic acid diethyl ester Formula: C22H20ClN3O7 MolecularWeight: 473.8631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H20ClN3O7/c1-3-32-20(27)17-18(13-5-9-16(10-6-13)26(30)31)24-22(29)25(19(17)21(28)33-4-2)15-11-7-14(23)8-12-15/h5-12,18H,3-4H2,1-2H3,(H,24,29)