[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-[2,2,2-tris(fluoranyl)ethylsulfamoyl]benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-[2,2,2-tris(fluoranyl)ethylsulfamoyl]benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(2,2,2-trifluoroethylsulfamoyl)benzoate CAS Name: 3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(2,2,2-trifluoroethylsulfamoyl)benzoate Traditional Name: 3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H14F3N3O7S MolecularWeight: 461.36917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N3O7S/c18-17(19,20)10-21-31(28,29)12-5-3-4-11(8-12)16(25)30-9-15(24)22-13-6-1-2-7-14(13)23(26)27/h1-8,21H,9-10H2,(H,22,24)