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

Systemtic Name: sodium 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: sodium 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-methyl-butanoate CAS Name: sodium 2-(5-bromo-1,3-dioxo-2-isoindolyl)-3-methylbutanoate IUPAC Name: sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: sodium 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-methyl-butyrate Formula: C13H11BrNNaO4 MolecularWeight: 348.12451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO4.Na/c1-6(2)10(13(18)19)15-11(16)8-4-3-7(14)5-9(8)12(15)17;/h3-6,10H,1-2H3,(H,18,19);/q;+1/p-1