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

Systemtic Name: 4-[(4S)-5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-5-[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-2-keto-6-methyl-5-piperonyloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C20H16N3O8- MolecularWeight: 426.35634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O8/c1-10-17(19(25)29-8-11-2-5-15-16(6-11)31-9-30-15)18(22-20(26)21-10)12-3-4-14(24)13(7-12)23(27)28/h2-7,18,24H,8-9H2,1H3,(H2,21,22,26)/p-1/t18-/m0/s1