2-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]isoindoline-1,3-quinone Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17NO4/c22-19-15-6-1-2-7-16(15)20(23)21(19)10-4-3-5-14-8-9-17-18(13-14)25-12-11-24-17/h1-3,5-9,13H,4,10-12H2/b5-3+