tert-butyl 4-[[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H30ClN5O5 MolecularWeight: 431.9143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)CC(C)(CN2C=C(N=C2Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)CC(C)(CN2C=C(N=C2Cl)[N+](=O)[O-])O

InChI

InChI=1S/C18H30ClN5O5/c1-17(2,3)29-16(25)22-8-6-13(7-9-22)21(5)11-18(4,26)12-23-10-14(24(27)28)20-15(23)19/h10,13,26H,6-9,11-12H2,1-5H3