[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H15BrFN3O4 MolecularWeight: 412.210403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrFN3O4/c17-13-9-12(18)3-4-14(13)24-11-16(23)25-10-15(22)21(7-1-5-19)8-2-6-20/h3-4,9H,1-2,7-8,10-11H2