N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-2-phenoxy-pyridine-3-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-2-phenoxy-pyridine-3-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-phenoxy-pyridine-3-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-phenoxy-3-pyridinecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-phenoxypyridine-3-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-phenoxy-nicotinamide Formula: C21H17F3N4O4 MolecularWeight: 446.37929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N4O4/c22-21(23,24)14-8-9-17(18(13-14)28(30)31)25-11-12-26-19(29)16-7-4-10-27-20(16)32-15-5-2-1-3-6-15/h1-10,13,25H,11-12H2,(H,26,29)