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

Systemtic Name: 4-[(4S)-6-methyl-5-(3-methylbutoxycarbonyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-isopentyloxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-6-methyl-5-[3-methylbutoxy(oxo)methyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-6-methyl-5-(3-methylbutoxycarbonyl)-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-isoamoxycarbonyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C17H20N3O6- MolecularWeight: 362.3572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCC(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCC(C)C

InChI

InChI=1S/C17H21N3O6/c1-9(2)6-7-26-16(22)14-10(3)18-17(23)19-15(14)11-4-5-13(21)12(8-11)20(24)25/h4-5,8-9,15,21H,6-7H2,1-3H3,(H2,18,19,23)/p-1/t15-/m0/s1