5-(4-bromanylphenoxy)-2-(2,6-dimethylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-bromanylphenoxy)-2-(2,6-dimethylphenyl)isoindole-1,3-dione Openeye Name: 5-(4-bromophenoxy)-2-(2,6-dimethylphenyl)isoindoline-1,3-dione CAS Name: 5-(4-bromophenoxy)-2-(2,6-dimethylphenyl)isoindole-1,3-dione IUPAC Name: 5-(4-bromophenoxy)-2-(2,6-dimethylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-bromophenoxy)-2-(2,6-dimethylphenyl)isoindoline-1,3-quinone Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrNO3/c1-13-4-3-5-14(2)20(13)24-21(25)18-11-10-17(12-19(18)22(24)26)27-16-8-6-15(23)7-9-16/h3-12H,1-2H3