[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H15BrN2O4 MolecularWeight: 355.1839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC#N)OC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NCCC#N)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H15BrN2O4/c1-10(21-12-5-3-11(15)4-6-12)14(19)20-9-13(18)17-8-2-7-16/h3-6,10H,2,8-9H2,1H3,(H,17,18)