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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H17BrN2O4 MolecularWeight: 369.21048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C15H17BrN2O4/c16-12-4-6-13(7-5-12)21-10-1-3-15(20)22-11-14(19)18-9-2-8-17/h4-7H,1-3,9-11H2,(H,18,19)