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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-bromanyl-pentanoic acid Openeye Name: 5-bromo-2-(1,3-dioxoisoindolin-2-yl)pentanoic acid CAS Name: 5-bromo-2-(1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 5-bromo-2-(1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 5-bromo-2-phthalimido-valeric 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)C(CCCBr)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCCBr)C(=O)O

InChI

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