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

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(2-phenylethanoyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(2-phenylacetyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(1-oxo-2-phenylethyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(2-phenylacetyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(3-nitrophenyl)-3-(2-phenylacetyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O6/c1-3-31-21(27)19-14(2)23-22(28)24(18(26)12-15-8-5-4-6-9-15)20(19)16-10-7-11-17(13-16)25(29)30/h4-11,13,20H,3,12H2,1-2H3,(H,23,28)