tert-butyl 6-bromanyl-3-oxidanylidene-1H-isoindole-2-carboxylate

Systemtic Name: tert-butyl 6-bromanyl-3-oxidanylidene-1H-isoindole-2-carboxylate Openeye Name: tert-butyl 5-bromo-1-oxo-isoindoline-2-carboxylate CAS Name: 6-bromo-3-oxo-1H-isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-bromo-3-oxo-1H-isoindole-2-carboxylate Traditional Name: 5-bromo-1-keto-isoindoline-2-carboxylic acid tert-butyl ester Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1=O)C=CC(=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1=O)C=CC(=C2)Br

InChI

InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-8-6-9(14)4-5-10(8)11(15)16/h4-6H,7H2,1-3H3