2-(1,3-benzodioxol-2-yl)-2-(3-iodanylpropyl)-3-methyl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-2-(3-iodanylpropyl)-3-methyl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-2-(3-iodopropyl)-3-methyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-2-(3-iodopropyl)-3-methylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-2-(3-iodopropyl)-3-methylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-2-(3-iodopropyl)-3-methyl-valeronitrile Formula: C16H20INO2 MolecularWeight: 385.23997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20INO2/c1-3-12(2)16(11-18,9-6-10-17)15-19-13-7-4-5-8-14(13)20-15/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3