[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NCCC#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NCCC#N)Br)OC

InChI

InChI=1S/C15H17BrN2O5/c1-21-12-6-10(11(16)8-13(12)22-2)7-15(20)23-9-14(19)18-5-3-4-17/h6,8H,3,5,7,9H2,1-2H3,(H,18,19)