2-[4-(4-bromanylphenoxy)carbonylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-(4-bromanylphenoxy)carbonylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-(4-bromophenoxy)carbonylphenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-[(4-bromophenoxy)-oxomethyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-(4-bromophenoxy)carbonylphenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-(4-bromophenoxy)carbonylphenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C22H12BrNO6 MolecularWeight: 466.23778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C22H12BrNO6/c23-14-4-8-16(9-5-14)30-22(29)12-1-6-15(7-2-12)24-19(25)17-10-3-13(21(27)28)11-18(17)20(24)26/h1-11H,(H,27,28)