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

Systemtic Name: 4-[(4R)-6-methyl-2-oxidanylidene-5-pentoxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-6-methyl-2-oxo-5-pentoxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-6-methyl-2-oxo-5-[oxo(pentoxy)methyl]-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-6-methyl-2-oxo-5-pentoxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-amoxycarbonyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-3-4-5-8-26-16(22)14-10(2)18-17(23)19-15(14)11-6-7-13(21)12(9-11)20(24)25/h6-7,9,15,21H,3-5,8H2,1-2H3,(H2,18,19,23)/p-1/t15-/m1/s1