diethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-bromanylbutyl)propanedioate

Systemtic Name: diethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-bromanylbutyl)propanedioate Openeye Name: diethyl 2-(4-bromobutyl)-2-(1,3-dioxoisoindolin-2-yl)propanedioate CAS Name: 2-(4-bromobutyl)-2-(1,3-dioxo-2-isoindolyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-bromobutyl)-2-(1,3-dioxoisoindol-2-yl)propanedioate Traditional Name: 2-(4-bromobutyl)-2-phthalimido-malonic acid diethyl ester Formula: C19H22BrNO6 MolecularWeight: 440.28508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCBr)(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)C(CCCCBr)(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C19H22BrNO6/c1-3-26-17(24)19(11-7-8-12-20,18(25)27-4-2)21-15(22)13-9-5-6-10-14(13)16(21)23/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3