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

Systemtic Name: 4-[(4S)-6-methyl-2-oxidanylidene-5-propan-2-yloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-isopropoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-6-methyl-2-oxo-5-[oxo(propan-2-yloxy)methyl]-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-6-methyl-2-oxo-5-propan-2-yloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-isopropoxycarbonyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C15H16N3O6- MolecularWeight: 334.30404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-7(2)24-14(20)12-8(3)16-15(21)17-13(12)9-4-5-11(19)10(6-9)18(22)23/h4-7,13,19H,1-3H3,(H2,16,17,21)/p-1/t13-/m0/s1