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

Systemtic Name: tert-butyl 4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H28ClN5O5 MolecularWeight: 417.88772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CC(C)(CN2C=C(N=C2Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CC(C)(CN2C=C(N=C2Cl)[N+](=O)[O-])O

InChI

InChI=1S/C17H28ClN5O5/c1-16(2,3)28-15(24)21-7-5-6-20(8-9-21)11-17(4,25)12-22-10-13(23(26)27)19-14(22)18/h10,25H,5-9,11-12H2,1-4H3