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

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] 2-ethylbenzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C19H21Br2NO2 MolecularWeight: 455.18354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

InChI

InChI=1S/C19H21Br2NO2/c1-2-15-5-3-4-6-18(15)19(23)24-17-9-7-16(8-10-17)22(13-11-20)14-12-21/h3-10H,2,11-14H2,1H3