3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)butyric acid Formula: C12H10BrNO4 MolecularWeight: 312.1161

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

CC(CC(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C12H10BrNO4/c1-6(4-10(15)16)14-11(17)8-3-2-7(13)5-9(8)12(14)18/h2-3,5-6H,4H2,1H3,(H,15,16)