(4-nitrophenyl)methyl 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: (4-nitrophenyl)methyl 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid (4-nitrobenzyl) ester Formula: C21H14F3NO4 MolecularWeight: 401.33537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14F3NO4/c22-21(23,24)16-9-7-15(8-10-16)18-3-1-2-4-19(18)20(26)29-13-14-5-11-17(12-6-14)25(27)28/h1-12H,13H2