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

Systemtic Name: 4-[(4S)-6-methyl-2-oxidanylidene-5-phenethyloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-6-methyl-2-oxo-5-phenethyloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-6-methyl-2-oxo-5-[oxo(phenethyloxy)methyl]-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-6-methyl-2-oxo-5-phenethyloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-2-keto-6-methyl-5-phenethyloxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C20H18N3O6- MolecularWeight: 396.37342

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-12-17(19(25)29-10-9-13-5-3-2-4-6-13)18(22-20(26)21-12)14-7-8-16(24)15(11-14)23(27)28/h2-8,11,18,24H,9-10H2,1H3,(H2,21,22,26)/p-1/t18-/m0/s1