2-[3-bromanyl-4-[(4,4-dimethyl-3-oxidanylidene-1,2-oxazolidin-2-yl)methyl]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-bromanyl-4-[(4,4-dimethyl-3-oxidanylidene-1,2-oxazolidin-2-yl)methyl]phenyl]isoindole-1,3-dione Openeye Name: 2-[3-bromo-4-[(4,4-dimethyl-3-oxo-isoxazolidin-2-yl)methyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-bromo-4-[(4,4-dimethyl-3-oxo-2-isoxazolidinyl)methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-bromo-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-bromo-4-[(3-keto-4,4-dimethyl-isoxazolidin-2-yl)methyl]phenyl]isoindoline-1,3-quinone Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CON(C1=O)CC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Br)C

Isomeric SMILES

CC1(CON(C1=O)CC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Br)C

InChI

InChI=1S/C20H17BrN2O4/c1-20(2)11-27-22(19(20)26)10-12-7-8-13(9-16(12)21)23-17(24)14-5-3-4-6-15(14)18(23)25/h3-9H,10-11H2,1-2H3