5-bromanyl-2-(4-phenylmethoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-(4-phenylmethoxyphenyl)isoindole-1,3-dione Openeye Name: 2-(4-benzyloxyphenyl)-5-bromo-isoindoline-1,3-dione CAS Name: 5-bromo-2-(4-phenylmethoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-bromo-2-(4-phenylmethoxyphenyl)isoindole-1,3-dione Traditional Name: 2-(4-benzoxyphenyl)-5-bromo-isoindoline-1,3-quinone Formula: C21H14BrNO3 MolecularWeight: 408.24476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H14BrNO3/c22-15-6-11-18-19(12-15)21(25)23(20(18)24)16-7-9-17(10-8-16)26-13-14-4-2-1-3-5-14/h1-12H,13H2