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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-1-(4-methylphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-4-oxo-1-(p-tolyl)azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(4-methylphenyl)-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-4-keto-1-(p-tolyl)azetidin-3-yl]isoindoline-1,3-quinone Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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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=C(C=CC(=C5)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C5=C(C=CC(=C5)Br)OC

InChI

InChI=1S/C25H19BrN2O4/c1-14-7-10-16(11-8-14)27-21(19-13-15(26)9-12-20(19)32-2)22(25(27)31)28-23(29)17-5-3-4-6-18(17)24(28)30/h3-13,21-22H,1-2H3