1-(1,3-benzodioxol-5-yl)ethanone; 4-(phenylcarbonyl)benzenecarbonitrile

Systemtic Name: 1-(1,3-benzodioxol-5-yl)ethanone; 4-(phenylcarbonyl)benzenecarbonitrile Openeye Name: 1-(1,3-benzodioxol-5-yl)ethanone; 4-benzoylbenzonitrile CAS Name: 1-(1,3-benzodioxol-5-yl)ethanone; 4-benzoylbenzonitrile IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone; 4-benzoylbenzonitrile Traditional Name: 1-(1,3-benzodioxol-5-yl)ethanone; 4-benzoylbenzonitrile Formula: C23H17NO4 MolecularWeight: 371.38538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCO2.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCO2.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H9NO.C9H8O3/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12;1-6(10)7-2-3-8-9(4-7)12-5-11-8/h1-9H;2-4H,5H2,1H3