2-[7-tert-butyl-5-(2-oxidanylidene-1H-pyridin-3-yl)-1-benzofuran-3-yl]ethanenitrile

Systemtic Name: 2-[7-tert-butyl-5-(2-oxidanylidene-1H-pyridin-3-yl)-1-benzofuran-3-yl]ethanenitrile Openeye Name: 2-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)benzofuran-3-yl]acetonitrile CAS Name: 2-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-3-benzofuranyl]acetonitrile IUPAC Name: 2-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-yl]acetonitrile Traditional Name: 2-[7-tert-butyl-5-(2-keto-1H-pyridin-3-yl)benzofuran-3-yl]acetonitrile Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)C3=CC=CNC3=O)C(=CO2)CC#N

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)C3=CC=CNC3=O)C(=CO2)CC#N

InChI

InChI=1S/C19H18N2O2/c1-19(2,3)16-10-13(14-5-4-8-21-18(14)22)9-15-12(6-7-20)11-23-17(15)16/h4-5,8-11H,6H2,1-3H3,(H,21,22)