tert-butyl 2-[3,3-bis(chloranyl)-7-methyl-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3,3-bis(chloranyl)-7-methyl-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-(3,3-dichloro-7-methyl-2-oxo-azepan-1-yl)acetate CAS Name: 2-(3,3-dichloro-7-methyl-2-oxo-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3,3-dichloro-7-methyl-2-oxoazepan-1-yl)acetate Traditional Name: 2-(3,3-dichloro-2-keto-7-methyl-azepan-1-yl)acetic acid tert-butyl ester Formula: C13H21Cl2NO3 MolecularWeight: 310.21674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(=O)N1CC(=O)OC(C)(C)C)(Cl)Cl

Isomeric SMILES

CC1CCCC(C(=O)N1CC(=O)OC(C)(C)C)(Cl)Cl

InChI

InChI=1S/C13H21Cl2NO3/c1-9-6-5-7-13(14,15)11(18)16(9)8-10(17)19-12(2,3)4/h9H,5-8H2,1-4H3