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

Systemtic Name: [4-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[4-(trifluoromethyl)anilino]methyl]phenyl] ester IUPAC Name: [4-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] ester Formula: C20H13F3N2O6S MolecularWeight: 466.38723

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)C(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)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13F3N2O6S/c21-20(22,23)14-6-8-15(9-7-14)24-19(26)13-4-10-17(11-5-13)31-32(29,30)18-3-1-2-16(12-18)25(27)28/h1-12H,(H,24,26)