tert-butyl 5-azanyl-2-(7-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-2-(7-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-2-(4-bromo-1-oxo-isoindolin-2-yl)-5-oxo-pentanoate CAS Name: 5-amino-2-(7-bromo-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-(7-bromo-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate Traditional Name: 5-amino-2-(4-bromo-1-keto-isoindolin-2-yl)-5-keto-valeric acid tert-butyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N)N1CC2=C(C1=O)C=CC=C2Br

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)N)N1CC2=C(C1=O)C=CC=C2Br

InChI

InChI=1S/C17H21BrN2O4/c1-17(2,3)24-16(23)13(7-8-14(19)21)20-9-11-10(15(20)22)5-4-6-12(11)18/h4-6,13H,7-9H2,1-3H3,(H2,19,21)