ethyl 2-[1-(2-bromanylpropanoyl)-5,5-dimethyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-(2-bromanylpropanoyl)-5,5-dimethyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-(2-bromopropanoyl)-5,5-dimethyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2-bromo-1-oxopropyl)-5,5-dimethyl-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-bromopropanoyl)-5,5-dimethyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-bromopropanoyl)-3-keto-5,5-dimethyl-piperazin-2-yl]acetic acid ethyl ester Formula: C13H21BrN2O4 MolecularWeight: 349.22084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NC(CN1C(=O)C(C)Br)(C)C

Isomeric SMILES

CCOC(=O)CC1C(=O)NC(CN1C(=O)C(C)Br)(C)C

InChI

InChI=1S/C13H21BrN2O4/c1-5-20-10(17)6-9-11(18)15-13(3,4)7-16(9)12(19)8(2)14/h8-9H,5-7H2,1-4H3,(H,15,18)