[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C13H12BrClN2O3 MolecularWeight: 359.60298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C13H12BrClN2O3/c1-17(6-2-5-16)12(18)8-20-13(19)10-7-9(14)3-4-11(10)15/h3-4,7H,2,6,8H2,1H3