3-(1,3-benzodioxol-5-yl)-3-phenyl-propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-propanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-3-phenylpropanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-phenylpropanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-propionitrile Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO2/c17-9-8-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-11-18-15/h1-7,10,14H,8,11H2