tert-butyl 4-[2-[4-[(2-chloranyl-4-nitro-imidazol-1-yl)methyl]-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[(2-chloranyl-4-nitro-imidazol-1-yl)methyl]-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[(2-chloro-4-nitro-imidazol-1-yl)methyl]-4-hydroxy-1-piperidyl]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[(2-chloro-4-nitro-1-imidazolyl)methyl]-4-hydroxy-1-piperidinyl]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[(2-chloro-4-nitroimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[(2-chloro-4-nitro-imidazol-1-yl)methyl]-4-hydroxy-piperidino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31ClN6O6 MolecularWeight: 486.94974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)N2CCC(CC2)(CN3C=C(N=C3Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)N2CCC(CC2)(CN3C=C(N=C3Cl)[N+](=O)[O-])O

InChI

InChI=1S/C20H31ClN6O6/c1-19(2,3)33-18(29)25-10-8-23(9-11-25)13-16(28)24-6-4-20(30,5-7-24)14-26-12-15(27(31)32)22-17(26)21/h12,30H,4-11,13-14H2,1-3H3