[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C16H19BrN2O5/c1-19(6-4-5-18)15(20)10-24-16(21)8-11-7-13(22-2)14(23-3)9-12(11)17/h7,9H,4,6,8,10H2,1-3H3