2-methylpropyl 4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: isobutyl 4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]piperazine-1-carboxylic acid isobutyl ester Formula: C16H26ClN5O5 MolecularWeight: 403.86114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)CC(C)(CN2C=C(N=C2Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)CC(C)(CN2C=C(N=C2Cl)[N+](=O)[O-])O

InChI

InChI=1S/C16H26ClN5O5/c1-12(2)9-27-15(23)20-6-4-19(5-7-20)10-16(3,24)11-21-8-13(22(25)26)18-14(21)17/h8,12,24H,4-7,9-11H2,1-3H3