ethyl 3-ethanoyl-6-methyl-4-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethanoyl-6-methyl-4-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-acetyl-4-(2-hydroxy-5-nitro-phenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-acetyl-4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-acetyl-4-(2-hydroxy-5-nitro-phenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O7 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C)C

InChI

InChI=1S/C16H17N3O7/c1-4-26-15(22)13-8(2)17-16(23)18(9(3)20)14(13)11-7-10(19(24)25)5-6-12(11)21/h5-7,14,21H,4H2,1-3H3,(H,17,23)