phenyl 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethyl-3-oxidanylidene-butaneperoxoate hydrobromide

Systemtic Name: phenyl 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethyl-3-oxidanylidene-butaneperoxoate hydrobromide Openeye Name: phenyl 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-2-ethyl-3-oxo-butaneperoxoate hydrobromide CAS Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethyl-3-oxobutaneperoxoic acid phenyl ester hydrobromide IUPAC Name: phenyl 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethyl-3-oxobutaneperoxoate hydrobromide Traditional Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-2-ethyl-3-keto-peroxybutyric acid phenyl ester hydrobromide Formula: C24H28BrN3O6 MolecularWeight: 534.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)(C(=O)OOC1=CC=CC=C1)N2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC.Br

Isomeric SMILES

CCC(C(=O)C)(C(=O)OOC1=CC=CC=C1)N2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC.Br

InChI

InChI=1S/C24H27N3O6.BrH/c1-5-24(15(3)28,23(30)33-32-17-10-8-7-9-11-17)27-14-16-12-20(31-6-2)19(22(29)26-4)13-18(16)21(27)25;/h7-13,25H,5-6,14H2,1-4H3,(H,26,29);1H