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

Systemtic Name: 4-[(4R)-5-[(2S)-butan-2-yl]oxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[(4R)-6-methyl-5-[(1S)-1-methylpropoxy]carbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 4-[(4R)-5-[[(2S)-butan-2-yl]oxy-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-5-[(2S)-butan-2-yl]oxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 2-ethoxy-4-[(4R)-2-keto-6-methyl-5-[(1S)-1-methylpropoxy]carbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Formula: C18H22N3O7- MolecularWeight: 392.38318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OCC)[O-])[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-5-9(3)28-17(23)14-10(4)19-18(24)20-15(14)11-7-12(21(25)26)16(22)13(8-11)27-6-2/h7-9,15,22H,5-6H2,1-4H3,(H2,19,20,24)/p-1/t9-,15+/m0/s1