[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O4/c14-10-3-1-4-11(7-10)19-9-13(18)20-8-12(17)16-6-2-5-15/h1,3-4,7H,2,6,8-9H2,(H,16,17)