2-[(4-bromophenyl)-(2,5-dimethylphenyl)amino]isoindole-1,3-dione

Systemtic Name: 2-[(4-bromophenyl)-(2,5-dimethylphenyl)amino]isoindole-1,3-dione Openeye Name: 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindoline-1,3-dione CAS Name: 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindole-1,3-dione IUPAC Name: 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindole-1,3-dione Traditional Name: 2-(4-bromo-N-(2,5-dimethylphenyl)anilino)isoindoline-1,3-quinone Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2/c1-14-7-8-15(2)20(13-14)24(17-11-9-16(23)10-12-17)25-21(26)18-5-3-4-6-19(18)22(25)27/h3-13H,1-2H3