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

Systemtic Name: phenacyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: phenacyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid phenacyl ester Formula: C21H15F3N2O3 MolecularWeight: 400.35061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O3/c22-21(23,24)15-8-4-9-16(12-15)26-19-17(10-5-11-25-19)20(28)29-13-18(27)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,26)