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

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(propan-2-ylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(isopropylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[oxo-(propan-2-ylamino)methyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(propan-2-ylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(isopropylcarbamoyl)-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6/c1-8(2)17-15(23)19-13(10-5-4-6-11(7-10)20(25)26)12(14(21)22)9(3)18-16(19)24/h4-8,13H,1-3H3,(H,17,23)(H,18,24)(H,21,22)