[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C17H14FN3O3 MolecularWeight: 327.309763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC=NC=C2)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC=NC=C2)F

InChI

InChI=1S/C17H14FN3O3/c18-14-2-4-15(5-3-14)21(11-1-8-19)16(22)12-24-17(23)13-6-9-20-10-7-13/h2-7,9-10H,1,11-12H2