2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxopentanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-4-methyl-valeronitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-8(2)13(15)10(6-14)9-3-4-11-12(5-9)17-7-16-11/h3-5,8,10H,7H2,1-2H3