2-pentyl-4H-1,3-benzodioxine-6-carbonitrile

Systemtic Name: 2-pentyl-4H-1,3-benzodioxine-6-carbonitrile Openeye Name: 2-pentyl-4H-1,3-benzodioxine-6-carbonitrile CAS Name: 2-pentyl-4H-1,3-benzodioxin-6-carbonitrile IUPAC Name: 2-pentyl-4H-1,3-benzodioxine-6-carbonitrile Traditional Name: 2-amyl-4H-1,3-benzodioxin-6-carbonitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC2=C(O1)C=CC(=C2)C#N

Isomeric SMILES

CCCCCC1OCC2=C(O1)C=CC(=C2)C#N

InChI

InChI=1S/C14H17NO2/c1-2-3-4-5-14-16-10-12-8-11(9-15)6-7-13(12)17-14/h6-8,14H,2-5,10H2,1H3