tert-butyl 2-(3-bromanyl-2-oxidanylidene-azepan-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-bromanyl-2-oxidanylidene-azepan-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-bromo-2-oxo-azepan-1-yl)acetate CAS Name: 2-(3-bromo-2-oxo-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-bromo-2-oxoazepan-1-yl)acetate Traditional Name: 2-(3-bromo-2-keto-azepan-1-yl)acetic acid tert-butyl ester Formula: C12H20BrNO3 MolecularWeight: 306.1961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCCCC(C1=O)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCCCC(C1=O)Br

InChI

InChI=1S/C12H20BrNO3/c1-12(2,3)17-10(15)8-14-7-5-4-6-9(13)11(14)16/h9H,4-8H2,1-3H3