2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)-4-oxo-1-(p-tolyl)azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)-4-keto-1-(p-tolyl)azetidin-3-yl]isoindoline-1,3-quinone Formula: C25H17BrN2O5 MolecularWeight: 505.31688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C5=CC6=C(C=C5Br)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C5=CC6=C(C=C5Br)OCO6

InChI

InChI=1S/C25H17BrN2O5/c1-13-6-8-14(9-7-13)27-21(17-10-19-20(11-18(17)26)33-12-32-19)22(25(27)31)28-23(29)15-4-2-3-5-16(15)24(28)30/h2-11,21-22H,12H2,1H3