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

Systemtic Name: 2-methoxy-4-[(4S)-6-methyl-2-oxidanylidene-5-propan-2-yloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 4-[(4S)-5-isopropoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4S)-6-methyl-2-oxo-5-[oxo(propan-2-yloxy)methyl]-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4S)-6-methyl-2-oxo-5-propan-2-yloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 4-[(4S)-5-isopropoxycarbonyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C16H18N3O7- MolecularWeight: 364.33002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-7(2)26-15(21)12-8(3)17-16(22)18-13(12)9-5-10(19(23)24)14(20)11(6-9)25-4/h5-7,13,20H,1-4H3,(H2,17,18,22)/p-1/t13-/m0/s1