sodium 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: sodium 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: sodium 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-4-methyl-pentanoate CAS Name: sodium 2-(5-bromo-1,3-dioxo-2-isoindolyl)-4-methylpentanoate IUPAC Name: sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: sodium 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-4-methyl-valerate Formula: C14H13BrNNaO4 MolecularWeight: 362.15109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)Br.[Na+]

Isomeric SMILES

CC(C)CC(C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)Br.[Na+]

InChI

InChI=1S/C14H14BrNO4.Na/c1-7(2)5-11(14(19)20)16-12(17)9-4-3-8(15)6-10(9)13(16)18;/h3-4,6-7,11H,5H2,1-2H3,(H,19,20);/q;+1/p-1