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

Systemtic Name: 3-(2,2-dimethylpropanoyl)-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(2,2-dimethylpropanoyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-(2,2-dimethyl-1-oxopropyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(2,2-dimethylpropanoyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(3-nitrophenyl)-3-pivaloyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-9-12(14(21)22)13(10-6-5-7-11(8-10)20(25)26)19(16(24)18-9)15(23)17(2,3)4/h5-8,13H,1-4H3,(H,18,24)(H,21,22)