2-(1,3-benzodioxol-2-yl)-5-chloranyl-2-methyl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-5-chloranyl-2-methyl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-5-chloro-2-methyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-5-chloro-2-methylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-5-chloro-2-methylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-5-chloro-2-methyl-valeronitrile Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCl)(C#N)C1OC2=CC=CC=C2O1

Isomeric SMILES

CC(CCCCl)(C#N)C1OC2=CC=CC=C2O1

InChI

InChI=1S/C13H14ClNO2/c1-13(9-15,7-4-8-14)12-16-10-5-2-3-6-11(10)17-12/h2-3,5-6,12H,4,7-8H2,1H3