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

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

CC1CCC(CC1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1CCC(CC1)OC(=O)C2=C(NC(=O)N[C@H]2C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O6/c1-10-3-6-13(7-4-10)28-18(24)16-11(2)20-19(25)21-17(16)12-5-8-15(23)14(9-12)22(26)27/h5,8-10,13,17,23H,3-4,6-7H2,1-2H3,(H2,20,21,25)/p-1/t10?,13?,17-/m0/s1