4-(2-chloranyl-3-nitro-phenyl)-6-methyl-3-[methyl(propan-2-yl)carbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-3-nitro-phenyl)-6-methyl-3-[methyl(propan-2-yl)carbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-3-nitro-phenyl)-3-[isopropyl(methyl)carbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-3-nitrophenyl)-6-methyl-3-[[methyl(propan-2-yl)amino]-oxomethyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2-chloro-3-nitrophenyl)-6-methyl-3-[methyl(propan-2-yl)carbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-3-nitro-phenyl)-3-[isopropyl(methyl)carbamoyl]-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C17H19ClN4O6 MolecularWeight: 410.80896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O6/c1-8(2)20(4)17(26)21-14(12(15(23)24)9(3)19-16(21)25)10-6-5-7-11(13(10)18)22(27)28/h5-8,14H,1-4H3,(H,19,25)(H,23,24)