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

Systemtic Name: phenyl (4S)-6-methyl-4-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenyl (4S)-4-(2-hydroxy-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenyl ester IUPAC Name: phenyl (4S)-4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-hydroxy-5-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O6/c1-10-15(17(23)27-12-5-3-2-4-6-12)16(20-18(24)19-10)13-9-11(21(25)26)7-8-14(13)22/h2-9,16,22H,1H3,(H2,19,20,24)/t16-/m0/s1