(5S)-5-fluoranyl-3-(4-methoxy-3-nitro-phenyl)sulfonyl-6-oxidanylidene-4,5-dihydropyrimidin-2-olate

Systemtic Name: (5S)-5-fluoranyl-3-(4-methoxy-3-nitro-phenyl)sulfonyl-6-oxidanylidene-4,5-dihydropyrimidin-2-olate Openeye Name: (5S)-5-fluoro-3-(4-methoxy-3-nitro-phenyl)sulfonyl-6-oxo-4,5-dihydropyrimidin-2-olate CAS Name: (5S)-5-fluoro-3-(4-methoxy-3-nitrophenyl)sulfonyl-6-oxo-4,5-dihydropyrimidin-2-olate IUPAC Name: (5S)-5-fluoro-3-(4-methoxy-3-nitrophenyl)sulfonyl-6-oxo-4,5-dihydropyrimidin-2-olate Traditional Name: (5S)-5-fluoro-6-keto-3-(4-methoxy-3-nitro-phenyl)sulfonyl-4,5-dihydropyrimidin-2-olate Formula: C11H9FN3O7S- MolecularWeight: 346.268463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(C(=O)N=C2[O-])F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H](C(=O)N=C2[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C11H10FN3O7S/c1-22-9-3-2-6(4-8(9)15(18)19)23(20,21)14-5-7(12)10(16)13-11(14)17/h2-4,7H,5H2,1H3,(H,13,16,17)/p-1/t7-/m0/s1