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

Systemtic Name: 2-ethoxy-4-[(4S)-5-methoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 4-[(4S)-5-carbomethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C15H16N3O7- MolecularWeight: 350.30344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C(=C(NC(=O)N2)C)C(=O)OC

InChI

InChI=1S/C15H17N3O7/c1-4-25-10-6-8(5-9(13(10)19)18(22)23)12-11(14(20)24-3)7(2)16-15(21)17-12/h5-6,12,19H,4H2,1-3H3,(H2,16,17,21)/p-1/t12-/m0/s1