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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-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-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H15F3N4O3 MolecularWeight: 404.34261

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

Isomeric SMILES

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

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/h2-8H,10,24H2,1H3,(H,25,26)/b15-11+