[4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C18H19Br2NO2 MolecularWeight: 441.15696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

InChI

InChI=1S/C18H19Br2NO2/c1-14-3-2-4-15(13-14)18(22)23-17-7-5-16(6-8-17)21(11-9-19)12-10-20/h2-8,13H,9-12H2,1H3