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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C18H16F3N3O5/c19-18(20,21)11-23-16(25)10-29-17(26)14-8-13(24(27)28)6-7-15(14)22-9-12-4-2-1-3-5-12/h1-8,22H,9-11H2,(H,23,25)