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

Systemtic Name: pentyl (4R)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4R)-4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2)O)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O6/c1-3-4-5-8-26-16(22)14-10(2)18-17(23)19-15(14)11-6-7-13(21)12(9-11)20(24)25/h6-7,9,15,21H,3-5,8H2,1-2H3,(H2,18,19,23)/t15-/m1/s1