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

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] benzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] benzoate CAS Name: benzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] benzoate Traditional Name: benzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C17H17Br2NO2 MolecularWeight: 427.13038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Br2NO2/c18-10-12-20(13-11-19)15-6-8-16(9-7-15)22-17(21)14-4-2-1-3-5-14/h1-9H,10-13H2