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

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] 3-chloranylbenzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C17H16Br2ClNO2 MolecularWeight: 461.57544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Br2ClNO2/c18-8-10-21(11-9-19)15-4-6-16(7-5-15)23-17(22)13-2-1-3-14(20)12-13/h1-7,12H,8-11H2