O4-tert-butyl O1-(2-methylpropyl) 2-(2-chloranyl-4-nitro-imidazol-1-yl)-3-oxidanyl-piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(2-methylpropyl) 2-(2-chloranyl-4-nitro-imidazol-1-yl)-3-oxidanyl-piperazine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-isobutyl 2-(2-chloro-4-nitro-imidazol-1-yl)-3-hydroxy-piperazine-1,4-dicarboxylate CAS Name: 2-(2-chloro-4-nitro-1-imidazolyl)-3-hydroxypiperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(2-methylpropyl) ester IUPAC Name: 4-O-tert-butyl 1-O-(2-methylpropyl) 2-(2-chloro-4-nitroimidazol-1-yl)-3-hydroxypiperazine-1,4-dicarboxylate Traditional Name: 2-(2-chloro-4-nitro-imidazol-1-yl)-3-hydroxy-piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-isobutyl ester Formula: C17H26ClN5O7 MolecularWeight: 447.87064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(C(C1N2C=C(N=C2Cl)[N+](=O)[O-])O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)COC(=O)N1CCN(C(C1N2C=C(N=C2Cl)[N+](=O)[O-])O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26ClN5O7/c1-10(2)9-29-15(25)20-6-7-21(16(26)30-17(3,4)5)13(24)12(20)22-8-11(23(27)28)19-14(22)18/h8,10,12-13,24H,6-7,9H2,1-5H3