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

Systemtic Name: (4-methylphenyl)methyl 6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: p-tolylmethyl 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylbenzyl) ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O6/c1-11-3-5-13(6-4-11)10-29-19(25)17-12(2)21-20(26)22-18(17)14-7-8-16(24)15(9-14)23(27)28/h3-9,18,24H,10H2,1-2H3,(H2,21,22,26)