[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C22H16F3N3O5 MolecularWeight: 459.37475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H16F3N3O5/c23-22(24,25)16-8-4-5-9-17(16)27-20(29)13-33-21(30)14-10-11-18(19(12-14)28(31)32)26-15-6-2-1-3-7-15/h1-12,26H,13H2,(H,27,29)