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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanylidene-heptanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxo-heptanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxoheptanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxoheptanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-4-methyl-enanthonitrile Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-3-4-10(2)15(17)12(8-16)11-5-6-13-14(7-11)19-9-18-13/h5-7,10,12H,3-4,9H2,1-2H3