[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid (4-phthalimidophenyl) ester Formula: C23H12BrNO5 MolecularWeight: 462.24908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C23H12BrNO5/c24-14-5-10-19-13(11-14)12-20(30-19)23(28)29-16-8-6-15(7-9-16)25-21(26)17-3-1-2-4-18(17)22(25)27/h1-12H