4-(1,3-benzodioxol-5-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)benzenecarbonitrile Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)benzonitrile CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]benzonitrile IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)benzonitrile Traditional Name: 4-piperonyloylbenzonitrile Formula: C15H9NO3 MolecularWeight: 251.23686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9NO3/c16-8-10-1-3-11(4-2-10)15(17)12-5-6-13-14(7-12)19-9-18-13/h1-7H,9H2