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

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

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-4-25-11-7-9(6-10(14(11)20)19(23)24)13-12(15(21)26-5-2)8(3)17-16(22)18-13/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)/p-1/t13-/m0/s1