3-pyridin-3-yl-5-(trifluoromethyl)-3H-2-benzofuran-1-one

Systemtic Name: 3-pyridin-3-yl-5-(trifluoromethyl)-3H-2-benzofuran-1-one Openeye Name: 3-(3-pyridyl)-5-(trifluoromethyl)-3H-isobenzofuran-1-one CAS Name: 3-(3-pyridinyl)-5-(trifluoromethyl)-3H-isobenzofuran-1-one IUPAC Name: 3-pyridin-3-yl-5-(trifluoromethyl)-3H-2-benzofuran-1-one Traditional Name: 3-(3-pyridyl)-5-(trifluoromethyl)phthalide Formula: C14H8F3NO2 MolecularWeight: 279.21403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2C3=C(C=CC(=C3)C(F)(F)F)C(=O)O2

Isomeric SMILES

C1=CC(=CN=C1)C2C3=C(C=CC(=C3)C(F)(F)F)C(=O)O2

InChI

InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-4-10-11(6-9)12(20-13(10)19)8-2-1-5-18-7-8/h1-7,12H