methyl 4-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(5-chloro-2-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-chloro-2-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-chloro-2-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H12ClN3O6 MolecularWeight: 341.70388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C13H12ClN3O6/c1-5-9(12(19)23-2)10(16-13(20)15-5)7-3-6(14)4-8(11(7)18)17(21)22/h3-4,10,18H,1-2H3,(H2,15,16,20)