[4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[4-(trifluoromethoxy)anilino]methyl]phenyl] ester IUPAC Name: [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] ester Formula: C20H13F3N2O7S MolecularWeight: 482.38663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13F3N2O7S/c21-20(22,23)31-16-10-6-14(7-11-16)24-19(26)13-4-8-17(9-5-13)32-33(29,30)18-3-1-2-15(12-18)25(27)28/h1-12H,(H,24,26)