4-[(4R)-6-methyl-5-[(1R,3S)-3-methylcyclohexyl]oxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R)-6-methyl-5-[(1R,3S)-3-methylcyclohexyl]oxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-6-methyl-5-[(1R,3S)-3-methylcyclohexoxy]carbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-6-methyl-5-[[(1R,3S)-3-methylcyclohexyl]oxy-oxomethyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-6-methyl-5-[(1R,3S)-3-methylcyclohexyl]oxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-2-keto-6-methyl-5-[(1R,3S)-3-methylcyclohexoxy]carbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C19H22N3O6- MolecularWeight: 388.39448

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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)/p-1/t10-,13+,17+/m0/s1