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

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoic acid Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-methyl-pentanoic acid CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-3-methylpentanoic acid IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-methyl-valeric acid Formula: C14H14BrNO4 MolecularWeight: 340.16926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO4/c1-3-7(2)11(14(19)20)16-12(17)9-5-4-8(15)6-10(9)13(16)18/h4-7,11H,3H2,1-2H3,(H,19,20)