dimethyl 3-(4-methylphenyl)-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 3-(4-methylphenyl)-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 6-(4-nitrophenyl)-2-oxo-3-(p-tolyl)-1,6-dihydropyrimidine-4,5-dicarboxylate CAS Name: 3-(4-methylphenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-methylphenyl)-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate Traditional Name: 2-keto-6-(4-nitrophenyl)-3-(p-tolyl)-1,6-dihydropyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(NC2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(NC2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H19N3O7/c1-12-4-8-14(9-5-12)23-18(20(26)31-3)16(19(25)30-2)17(22-21(23)27)13-6-10-15(11-7-13)24(28)29/h4-11,17H,1-3H3,(H,22,27)