[4-[bis(2-chloroethyl)amino]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] 4-bromanylbenzoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C17H16BrCl2NO2 MolecularWeight: 417.12444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)Br

InChI

InChI=1S/C17H16BrCl2NO2/c18-14-3-1-13(2-4-14)17(22)23-16-7-5-15(6-8-16)21(11-9-19)12-10-20/h1-8H,9-12H2