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

Systemtic Name: 4-[(4S)-6-methyl-5-[(4-methylphenyl)methoxycarbonyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-6-methyl-2-oxo-5-(p-tolylmethoxycarbonyl)-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-6-methyl-5-[(4-methylphenyl)methoxy-oxomethyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-6-methyl-5-[(4-methylphenyl)methoxycarbonyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-2-keto-6-methyl-5-(4-methylbenzyl)oxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C20H18N3O6- MolecularWeight: 396.37342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)N[C@H]2C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O6/c1-11-3-5-13(6-4-11)10-29-19(25)17-12(2)21-20(26)22-18(17)14-7-8-16(24)15(9-14)23(27)28/h3-9,18,24H,10H2,1-2H3,(H2,21,22,26)/p-1/t18-/m0/s1