[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-nitro-2-phenylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-nitro-2-phenylsulfanyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-nitro-2-phenylsulfanyl-benzoate CAS Name: 5-nitro-2-(phenylthio)benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-nitro-2-phenylsulfanylbenzoate Traditional Name: 5-nitro-2-(phenylthio)benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C17H13F3N2O5S MolecularWeight: 414.35573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C17H13F3N2O5S/c18-17(19,20)10-21-15(23)9-27-16(24)13-8-11(22(25)26)6-7-14(13)28-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,21,23)