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

Systemtic Name: 4-[(4R)-5-butoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-butoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-5-[butoxy(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-5-butoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-butoxycarbonyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C16H18N3O6- MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O6/c1-3-4-7-25-15(21)13-9(2)17-16(22)18-14(13)10-5-6-12(20)11(8-10)19(23)24/h5-6,8,14,20H,3-4,7H2,1-2H3,(H2,17,18,22)/p-1/t14-/m1/s1