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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H15F3N4O3 MolecularWeight: 404.34261

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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(=C2)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O3/c1-11(24)15(9-23)16(27)10-29-18(28)14-6-3-7-25-17(14)26-13-5-2-4-12(8-13)19(20,21)22/h2-8,15,24H,10H2,1H3,(H,25,26)