[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12BrFN2O4 MolecularWeight: 359.147783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)OCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1F)Br)OCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H12BrFN2O4/c14-10-6-9(15)2-3-11(10)20-8-13(19)21-7-12(18)17-5-1-4-16/h2-3,6H,1,5,7-8H2,(H,17,18)