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

Systemtic Name: 3-aminocarbonyl-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-carbamoyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-carbamoyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-carbamoyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-carbamoyl-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6/c1-6-9(11(18)19)10(16(12(14)20)13(21)15-6)7-3-2-4-8(5-7)17(22)23/h2-5,10H,1H3,(H2,14,20)(H,15,21)(H,18,19)