tert-butyl 2-[3,3-bis(bromanyl)-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3,3-bis(bromanyl)-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-(3,3-dibromo-2-oxo-azepan-1-yl)acetate CAS Name: 2-(3,3-dibromo-2-oxo-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3,3-dibromo-2-oxoazepan-1-yl)acetate Traditional Name: 2-(3,3-dibromo-2-keto-azepan-1-yl)acetic acid tert-butyl ester Formula: C12H19Br2NO3 MolecularWeight: 385.09216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19Br2NO3/c1-11(2,3)18-9(16)8-15-7-5-4-6-12(13,14)10(15)17/h4-8H2,1-3H3