2-[2-(1,3-benzodioxol-5-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-homopiperonylisoindoline-1,3-quinone Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13NO4/c19-16-12-3-1-2-4-13(12)17(20)18(16)8-7-11-5-6-14-15(9-11)22-10-21-14/h1-6,9H,7-8,10H2