5-bromanyl-2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-(2,3-dimethylphenoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-(2,3-dimethylphenoxy)phenyl]isoindoline-1,3-quinone Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br)C

InChI

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