2-[4-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)-3,4-dihydro-1,2-benzodioxin-3-yl]-3H-isoindol-1-one

Systemtic Name: 2-[4-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)-3,4-dihydro-1,2-benzodioxin-3-yl]-3H-isoindol-1-one Openeye Name: 2-[4-(1-oxoisochroman-3-yl)-3,4-dihydro-1,2-benzodioxin-3-yl]isoindolin-1-one CAS Name: 2-[4-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3,4-dihydro-1,2-benzodioxin-3-yl]-3H-isoindol-1-one IUPAC Name: 2-[4-(1-oxo-3,4-dihydroisochromen-3-yl)-3,4-dihydro-1,2-benzodioxin-3-yl]-3H-isoindol-1-one Traditional Name: 2-[4-(1-ketoisochroman-3-yl)-3,4-dihydro-1,2-benzodioxin-3-yl]isoindolin-1-one Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C3C(OOC4=CC=CC=C34)N5CC6=CC=CC=C6C5=O

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C3C(OOC4=CC=CC=C34)N5CC6=CC=CC=C6C5=O

InChI

InChI=1S/C25H19NO5/c27-23-17-9-3-2-8-16(17)14-26(23)24-22(19-11-5-6-12-20(19)30-31-24)21-13-15-7-1-4-10-18(15)25(28)29-21/h1-12,21-22,24H,13-14H2