[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F)/N

InChI

InChI=1S/C18H15FN4O3/c1-11(21)13(9-20)16(24)10-26-18(25)12-5-4-8-22-17(12)23-15-7-3-2-6-14(15)19/h2-8H,10,21H2,1H3,(H,22,23)/b13-11+