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

Systemtic Name: 4-[(4S)-5-[(2S)-butan-2-yl]oxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4S)-6-methyl-5-[(1S)-1-methylpropoxy]carbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 4-[(4S)-5-[[(2S)-butan-2-yl]oxy-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-5-[(2S)-butan-2-yl]oxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-2-keto-6-methyl-5-[(1S)-1-methylpropoxy]carbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C17H20N3O7- MolecularWeight: 378.3566

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H21N3O7/c1-5-8(2)27-16(22)13-9(3)18-17(23)19-14(13)10-6-11(20(24)25)15(21)12(7-10)26-4/h6-8,14,21H,5H2,1-4H3,(H2,18,19,23)/p-1/t8-,14-/m0/s1