[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C16H17FN2O3 MolecularWeight: 304.316183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)N(CCC#N)C1=CC=C(C=C1)F)C

Isomeric SMILES

CC(=CC(=O)OCC(=O)N(CCC#N)C1=CC=C(C=C1)F)C

InChI

InChI=1S/C16H17FN2O3/c1-12(2)10-16(21)22-11-15(20)19(9-3-8-18)14-6-4-13(17)5-7-14/h4-7,10H,3,9,11H2,1-2H3