[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H15ClN2O5 MolecularWeight: 326.7323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O5/c1-20-11-7-9(6-10(15)13(11)21-2)14(19)22-8-12(18)17-5-3-4-16/h6-7H,3,5,8H2,1-2H3,(H,17,18)