2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-keto-propionitrile Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(CC1)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO3/c17-9-13(16(18)11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h6-8,11,13H,1-5,10H2