[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-chloranyl-6-fluoranyl-phenyl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-chloranyl-6-fluoranyl-phenyl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-chloro-6-fluoro-phenyl)acetate CAS Name: 2-(2-chloro-6-fluorophenyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate Traditional Name: 2-(2-chloro-6-fluoro-phenyl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12ClFN2O3 MolecularWeight: 298.697383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C13H12ClFN2O3/c14-10-3-1-4-11(15)9(10)7-13(19)20-8-12(18)17-6-2-5-16/h1,3-4H,2,6-8H2,(H,17,18)