[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H18BrFN2O4 MolecularWeight: 449.270323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)COC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)COC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C20H18BrFN2O4/c1-14(20(26)24(11-5-10-23)16-6-3-2-4-7-16)28-19(25)13-27-18-9-8-15(22)12-17(18)21/h2-4,6-9,12,14H,5,11,13H2,1H3