2-(1,3-benzodioxol-2-yl)-3-ethyl-2-(3-oxidanylidenepropyl)pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-3-ethyl-2-(3-oxidanylidenepropyl)pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-3-ethyl-2-(3-oxopropyl)pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-3-ethyl-2-(3-oxopropyl)pentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-3-ethyl-2-(3-oxopropyl)pentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-3-ethyl-2-(3-ketopropyl)valeronitrile Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCC=O)(C#N)C1OC2=CC=CC=C2O1

Isomeric SMILES

CCC(CC)C(CCC=O)(C#N)C1OC2=CC=CC=C2O1

InChI

InChI=1S/C17H21NO3/c1-3-13(4-2)17(12-18,10-7-11-19)16-20-14-8-5-6-9-15(14)21-16/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3