cyanomethyl 5-bromanyl-2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: cyanomethyl 5-bromanyl-2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: cyanomethyl 5-bromo-2-[2-methyl-3-(trifluoromethyl)anilino]benzoate CAS Name: 5-bromo-2-[2-methyl-3-(trifluoromethyl)anilino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-bromo-2-[2-methyl-3-(trifluoromethyl)anilino]benzoate Traditional Name: 5-bromo-2-[2-methyl-3-(trifluoromethyl)anilino]benzoic acid cyanomethyl ester Formula: C17H12BrF3N2O2 MolecularWeight: 413.18859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=C(C=C2)Br)C(=O)OCC#N)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=C(C=C2)Br)C(=O)OCC#N)C(F)(F)F

InChI

InChI=1S/C17H12BrF3N2O2/c1-10-13(17(19,20)21)3-2-4-14(10)23-15-6-5-11(18)9-12(15)16(24)25-8-7-22/h2-6,9,23H,8H2,1H3