ethyl 6-methyl-3-(4-nitrophenyl)carbonyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-3-(4-nitrophenyl)carbonyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-3-(4-nitrobenzoyl)-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-3-[(4-nitrophenyl)-oxomethyl]-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-3-(4-nitrobenzoyl)-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-3-(4-nitrobenzoyl)-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O6/c1-3-30-20(26)17-13(2)22-21(27)23(18(17)14-7-5-4-6-8-14)19(25)15-9-11-16(12-10-15)24(28)29/h4-12,18H,3H2,1-2H3,(H,22,27)