4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(bromomethyl)butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(bromomethyl)butanoic acid Openeye Name: 2-(bromomethyl)-4-(1,3-dioxoisoindolin-2-yl)butanoic acid CAS Name: 2-(bromomethyl)-4-(1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 2-(bromomethyl)-4-(1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 2-(bromomethyl)-4-phthalimido-butyric acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(CBr)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(CBr)C(=O)O

InChI

InChI=1S/C13H12BrNO4/c14-7-8(13(18)19)5-6-15-11(16)9-3-1-2-4-10(9)12(15)17/h1-4,8H,5-7H2,(H,18,19)