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

Systemtic Name: 5-bromanyl-2-[4-(3-methylphenoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-(3-methylphenoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-(3-methylphenoxy)phenyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-(3-methylphenoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-(3-methylphenoxy)phenyl]isoindoline-1,3-quinone Formula: C21H14BrNO3 MolecularWeight: 408.24476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrNO3/c1-13-3-2-4-17(11-13)26-16-8-6-15(7-9-16)23-20(24)18-10-5-14(22)12-19(18)21(23)25/h2-12H,1H3