3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanenitrile

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanenitrile Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanenitrile CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanenitrile IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanenitrile Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)valeronitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCC(CC#N)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H16N2O2/c1-2-10(5-6-14)15-11-3-4-12-13(9-11)17-8-7-16-12/h3-4,9-10,15H,2,5,7-8H2,1H3