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

Systemtic Name: 2-[(4S)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-5-carbethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Formula: C14H14N3O6- MolecularWeight: 320.27746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-3-23-13(19)11-7(2)15-14(20)16-12(11)9-6-8(17(21)22)4-5-10(9)18/h4-6,12,18H,3H2,1-2H3,(H2,15,16,20)/p-1/t12-/m0/s1