(4-bromophenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (4-bromophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (4-bromobenzyl) ester Formula: C16H12BrF3N2O4 MolecularWeight: 433.17669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrF3N2O4/c17-12-4-1-10(2-5-12)9-26-15(23)8-21-13-6-3-11(16(18,19)20)7-14(13)22(24)25/h1-7,21H,8-9H2