[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H15FN4O3 MolecularWeight: 342.324403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C17H15FN4O3/c18-13-6-1-2-7-14(13)22-16-12(5-3-9-21-16)17(24)25-11-15(23)20-10-4-8-19/h1-3,5-7,9H,4,10-11H2,(H,20,23)(H,21,22)