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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H15BrN2O5 MolecularWeight: 371.1833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H15BrN2O5/c1-20-10-6-9(7-11(21-2)13(10)15)14(19)22-8-12(18)17-5-3-4-16/h6-7H,3,5,8H2,1-2H3,(H,17,18)