[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: [(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [(1S)-3-oxo-1H-isobenzofuran-1-yl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [(1S)-3-oxo-1H-isobenzofuran-1-yl] ester IUPAC Name: [(1S)-3-oxo-1H-2-benzofuran-1-yl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [(1S)-3-ketophthalan-1-yl] ester Formula: C21H13F3N2O4 MolecularWeight: 414.33413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)/t20-/m0/s1