tert-butyl 4-[3-bromanyl-4-chloranyl-5-(dioxidanylmethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-bromanyl-4-chloranyl-5-(dioxidanylmethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-bromo-4-chloro-5-(hydroperoxymethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-bromo-4-chloro-5-(hydroperoxymethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-bromo-4-chloro-5-(hydroperoxymethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-bromo-4-chloro-5-(hydroperoxymethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22BrClN2O4 MolecularWeight: 421.71388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C(=C2)COO)Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C(=C2)COO)Cl)Br

InChI

InChI=1S/C16H22BrClN2O4/c1-16(2,3)24-15(21)20-6-4-19(5-7-20)12-8-11(10-23-22)14(18)13(17)9-12/h8-9,22H,4-7,10H2,1-3H3