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

Systemtic Name: tert-butyl 4-[(2-chloranyl-4-nitro-imidazol-1-yl)methyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-chloro-4-nitro-imidazol-1-yl)methyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[(2-chloro-4-nitro-1-imidazolyl)methyl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-chloro-4-nitroimidazol-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[(2-chloro-4-nitro-imidazol-1-yl)methyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C14H21ClN4O5 MolecularWeight: 360.79334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN4O5/c1-13(2,3)24-12(20)17-6-4-14(21,5-7-17)9-18-8-10(19(22)23)16-11(18)15/h8,21H,4-7,9H2,1-3H3