6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(1-phenylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(1-phenylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(1-phenylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(1-phenylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(3-nitrophenyl)-3-(1-phenylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NC(C)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NC(C)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H20N4O6/c1-12(14-7-4-3-5-8-14)22-20(28)24-18(15-9-6-10-16(11-15)25(30)31)17(19(26)27)13(2)23-21(24)29/h3-12,18H,1-2H3,(H,22,28)(H,23,29)(H,26,27)