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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenyl-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylpropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylpropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-3-phenyl-propionitrile Formula: C16H11NO3 MolecularWeight: 265.26344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO3/c17-9-13(16(18)11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h1-8,13H,10H2