[4-[bis(2-bromoethyl)amino]phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C18H16Br2F3NO2 MolecularWeight: 495.12835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)C(F)(F)F

InChI

InChI=1S/C18H16Br2F3NO2/c19-9-11-24(12-10-20)15-5-7-16(8-6-15)26-17(25)13-1-3-14(4-2-13)18(21,22)23/h1-8H,9-12H2