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

Systemtic Name: [(1R,3S)-3-methylcyclohexyl] (4R)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(1R,3S)-3-methylcyclohexyl] (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 [(1R,3S)-3-methylcyclohexyl] ester IUPAC Name: [(1R,3S)-3-methylcyclohexyl] (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 [(1R,3S)-3-methylcyclohexyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@H](C1)OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC(=C(C=C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O6/c1-10-4-3-5-13(8-10)28-18(24)16-11(2)20-19(25)21-17(16)12-6-7-15(23)14(9-12)22(26)27/h6-7,9-10,13,17,23H,3-5,8H2,1-2H3,(H2,20,21,25)/t10-,13+,17+/m0/s1