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

Systemtic Name: 2-[(4S)-6-methyl-2-oxidanylidene-5-phenoxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-6-methyl-2-oxo-5-phenoxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-6-methyl-2-oxo-5-[oxo(phenoxy)methyl]-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-6-methyl-2-oxo-5-phenoxycarbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-5-carbophenoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Formula: C18H14N3O6- MolecularWeight: 368.32026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O6/c1-10-15(17(23)27-12-5-3-2-4-6-12)16(20-18(24)19-10)13-9-11(21(25)26)7-8-14(13)22/h2-9,16,22H,1H3,(H2,19,20,24)/p-1/t16-/m0/s1