2-(1,3-benzodioxol-5-yl)-3-phenyl-propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-phenyl-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-phenyl-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-phenylpropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-phenylpropanenitrile Traditional Name: 2-(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(CC3=CC=CC=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)C#N

InChI

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