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

Systemtic Name: 2-ethoxy-4-[(4R)-6-methyl-2-oxidanylidene-5-propan-2-yloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[(4R)-5-isopropoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[(4R)-6-methyl-2-oxo-5-[oxo(propan-2-yloxy)methyl]-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[(4R)-6-methyl-2-oxo-5-propan-2-yloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[(4R)-5-isopropoxycarbonyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Formula: C17H20N3O7- MolecularWeight: 378.3566

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7/c1-5-26-12-7-10(6-11(15(12)21)20(24)25)14-13(16(22)27-8(2)3)9(4)18-17(23)19-14/h6-8,14,21H,5H2,1-4H3,(H2,18,19,23)/p-1/t14-/m1/s1