2-dimethylaminoethyl 3,4-bis(bromomethyl)benzoate

Systemtic Name: 2-dimethylaminoethyl 3,4-bis(bromomethyl)benzoate Openeye Name: 2-dimethylaminoethyl 3,4-bis(bromomethyl)benzoate CAS Name: 3,4-bis(bromomethyl)benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3,4-bis(bromomethyl)benzoate Traditional Name: 3,4-bis(bromomethyl)benzoic acid 2-dimethylaminoethyl ester Formula: C13H17Br2NO2 MolecularWeight: 379.08758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC(=C(C=C1)CBr)CBr

Isomeric SMILES

CN(C)CCOC(=O)C1=CC(=C(C=C1)CBr)CBr

InChI

InChI=1S/C13H17Br2NO2/c1-16(2)5-6-18-13(17)10-3-4-11(8-14)12(7-10)9-15/h3-4,7H,5-6,8-9H2,1-2H3