[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C17H14F3N3O5 MolecularWeight: 397.30537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N3O5/c18-17(19,20)10-21-15(24)9-28-16(25)11-6-7-13(14(8-11)23(26)27)22-12-4-2-1-3-5-12/h1-8,22H,9-10H2,(H,21,24)