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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-cyclopropyl-3-keto-propionitrile Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC1C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H11NO3/c14-6-10(13(15)8-1-2-8)9-3-4-11-12(5-9)17-7-16-11/h3-5,8,10H,1-2,7H2