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

Systemtic Name: 1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoranyl-4-oxidanylidene-pyrimidin-2-olate Openeye Name: 1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoro-4-oxo-pyrimidin-2-olate CAS Name: 1-(4-butoxy-3-nitrophenyl)sulfonyl-5-fluoro-4-oxo-2-pyrimidinolate IUPAC Name: 1-(4-butoxy-3-nitrophenyl)sulfonyl-5-fluoro-4-oxopyrimidin-2-olate Traditional Name: 1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoro-4-keto-pyrimidin-2-olate Formula: C14H13FN3O7S- MolecularWeight: 386.332323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)N=C2[O-])F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)N=C2[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C14H14FN3O7S/c1-2-3-6-25-12-5-4-9(7-11(12)18(21)22)26(23,24)17-8-10(15)13(19)16-14(17)20/h4-5,7-8H,2-3,6H2,1H3,(H,16,19,20)/p-1