[2-[[2-(4-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-[[2-(4-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-[[2-(4-fluorophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-[[2-(4-fluorophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [2-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-[[2-(4-fluorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C22H13FN2O7S MolecularWeight: 468.411223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)F)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)F)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H13FN2O7S/c23-16-11-9-14(10-12-16)21-24-17(22(26)31-21)13-15-5-1-3-7-19(15)32-33(29,30)20-8-4-2-6-18(20)25(27)28/h1-13H