[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-bromanylbenzoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-bromanylbenzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (3-phthalimidophenyl) ester Formula: C21H12BrNO4 MolecularWeight: 422.22828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrNO4/c22-14-10-8-13(9-11-14)21(26)27-16-5-3-4-15(12-16)23-19(24)17-6-1-2-7-18(17)20(23)25/h1-12H