cyanomethyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: cyanomethyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: cyanomethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid cyanomethyl ester Formula: C15H10F3N3O2 MolecularWeight: 321.25401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-1-4-11(9-10)21-13-12(5-2-7-20-13)14(22)23-8-6-19/h1-5,7,9H,8H2,(H,20,21)