3-[5-(4-bromanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 3-[5-(4-bromanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-[5-(4-bromophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 3-[5-(4-bromophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 3-[5-(4-bromophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 3-[5-(4-bromophenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C21H12BrNO5 MolecularWeight: 438.22768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H12BrNO5/c22-13-4-6-15(7-5-13)28-16-8-9-17-18(11-16)20(25)23(19(17)24)14-3-1-2-12(10-14)21(26)27/h1-11H,(H,26,27)