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

Systemtic Name: [4-(4-ethylphenyl)phenyl] 2-bromanyl-6-nitro-4-(trifluoromethyl)benzoate Openeye Name: [4-(4-ethylphenyl)phenyl] 2-bromo-6-nitro-4-(trifluoromethyl)benzoate CAS Name: 2-bromo-6-nitro-4-(trifluoromethyl)benzoic acid [4-(4-ethylphenyl)phenyl] ester IUPAC Name: [4-(4-ethylphenyl)phenyl] 2-bromo-6-nitro-4-(trifluoromethyl)benzoate Traditional Name: 2-bromo-6-nitro-4-(trifluoromethyl)benzoic acid [4-(4-ethylphenyl)phenyl] ester Formula: C22H15BrF3NO4 MolecularWeight: 494.25801

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrF3NO4/c1-2-13-3-5-14(6-4-13)15-7-9-17(10-8-15)31-21(28)20-18(23)11-16(22(24,25)26)12-19(20)27(29)30/h3-12H,2H2,1H3