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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-3-oxidanylidene-propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-3-oxo-propanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopropanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopropanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-keto-2-methyl-propionitrile Formula: C11H9NO3 MolecularWeight: 203.19406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C#N)C(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H9NO3/c1-7(5-12)11(13)8-2-3-9-10(4-8)15-6-14-9/h2-4,7H,6H2,1H3