[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate

Systemtic Name: [2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate Openeye Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate CAS Name: 4-(4-propylphenyl)benzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-(4-propylphenyl)benzoate Traditional Name: 4-(4-propylphenyl)benzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester Formula: C23H17BrF3NO4 MolecularWeight: 508.28459

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)C(F)(F)F)[N+](=O)[O-]

InChI

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