(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-8,13,21H,10H2,1H3,(H,22,23)