2-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-butanenitrile

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-butanenitrile Openeye Name: 2-(2,3-dihydrobenzofuran-5-yl)-3-methyl-butanenitrile CAS Name: 2-(2,3-dihydrobenzofuran-5-yl)-3-methylbutanenitrile IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanenitrile Traditional Name: 2-coumaran-5-yl-3-methyl-butyronitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC2=C(C=C1)OCC2

Isomeric SMILES

CC(C)C(C#N)C1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C13H15NO/c1-9(2)12(8-14)10-3-4-13-11(7-10)5-6-15-13/h3-4,7,9,12H,5-6H2,1-2H3