(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C17H14F3N3O5 MolecularWeight: 397.30537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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