[4-[bis(2-chloroethyl)amino]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] 3-bromanylbenzoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] 3-bromobenzoate Traditional Name: 3-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(=C1)Br)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

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

InChI

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