5-fluoranyl-1-(3-nitro-4-propoxy-phenyl)sulfonyl-4-oxidanylidene-pyrimidin-2-olate

Systemtic Name: 5-fluoranyl-1-(3-nitro-4-propoxy-phenyl)sulfonyl-4-oxidanylidene-pyrimidin-2-olate Openeye Name: 5-fluoro-1-(3-nitro-4-propoxy-phenyl)sulfonyl-4-oxo-pyrimidin-2-olate CAS Name: 5-fluoro-1-(3-nitro-4-propoxyphenyl)sulfonyl-4-oxo-2-pyrimidinolate IUPAC Name: 5-fluoro-1-(3-nitro-4-propoxyphenyl)sulfonyl-4-oxopyrimidin-2-olate Traditional Name: 5-fluoro-4-keto-1-(3-nitro-4-propoxy-phenyl)sulfonyl-pyrimidin-2-olate Formula: C13H11FN3O7S- MolecularWeight: 372.305743

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)N=C2[O-])F)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)N=C2[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C13H12FN3O7S/c1-2-5-24-11-4-3-8(6-10(11)17(20)21)25(22,23)16-7-9(14)12(18)15-13(16)19/h3-4,6-7H,2,5H2,1H3,(H,15,18,19)/p-1