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

Systemtic Name: 4-[(4R)-5-ethoxycarbonyl-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4R)-5-ethoxycarbonyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4R)-5-ethoxycarbonyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-5-ethoxycarbonyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4R)-5-carbethoxy-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C20H18N3O7- MolecularWeight: 412.37282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O7/c1-3-30-19(25)15-16(11-7-5-4-6-8-11)21-20(26)22-17(15)12-9-13(23(27)28)18(24)14(10-12)29-2/h4-10,17,24H,3H2,1-2H3,(H2,21,22,26)/p-1/t17-/m1/s1