2-[[2-nitro-4-(trifluoromethyl)phenyl]-(phenylmethyl)amino]ethyl benzoate

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]-(phenylmethyl)amino]ethyl benzoate Openeye Name: 2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate CAS Name: benzoic acid 2-[2-nitro-N-(phenylmethyl)-4-(trifluoromethyl)anilino]ethyl ester IUPAC Name: 2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl ester Formula: C23H19F3N2O4 MolecularWeight: 444.40317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCOC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCOC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H19F3N2O4/c24-23(25,26)19-11-12-20(21(15-19)28(30)31)27(16-17-7-3-1-4-8-17)13-14-32-22(29)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2