[4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(2,2,2-trifluoroethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl] ester IUPAC Name: [4-(2,2,2-trifluoroethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(2,2,2-trifluoroethylcarbamoyl)phenyl] ester Formula: C15H11F3N2O6S MolecularWeight: 404.31785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N2O6S/c16-15(17,18)9-19-14(21)10-4-6-12(7-5-10)26-27(24,25)13-3-1-2-11(8-13)20(22)23/h1-8H,9H2,(H,19,21)