[2-bromanyl-5-nitro-3-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate

Systemtic Name: [2-bromanyl-5-nitro-3-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate Openeye Name: [2-bromo-5-nitro-3-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate CAS Name: 4-(4-propylphenyl)benzoic acid [2-bromo-5-nitro-3-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-5-nitro-3-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate Traditional Name: 4-(4-propylphenyl)benzoic acid [2-bromo-5-nitro-3-(trifluoromethyl)phenyl] ester Formula: C23H17BrF3NO4 MolecularWeight: 508.28459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=CC(=C3)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=CC(=C3)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C23H17BrF3NO4/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(29)32-20-13-18(28(30)31)12-19(21(20)24)23(25,26)27/h4-13H,2-3H2,1H3