tert-butyl 5-(2-chloranyl-4-nitro-imidazol-1-yl)-4-methyl-4-oxidanyl-pentanoate

Systemtic Name: tert-butyl 5-(2-chloranyl-4-nitro-imidazol-1-yl)-4-methyl-4-oxidanyl-pentanoate Openeye Name: tert-butyl 5-(2-chloro-4-nitro-imidazol-1-yl)-4-hydroxy-4-methyl-pentanoate CAS Name: 5-(2-chloro-4-nitro-1-imidazolyl)-4-hydroxy-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-chloro-4-nitroimidazol-1-yl)-4-hydroxy-4-methylpentanoate Traditional Name: 5-(2-chloro-4-nitro-imidazol-1-yl)-4-hydroxy-4-methyl-valeric acid tert-butyl ester Formula: C13H20ClN3O5 MolecularWeight: 333.768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C)(CN1C=C(N=C1Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C)(CN1C=C(N=C1Cl)[N+](=O)[O-])O

InChI

InChI=1S/C13H20ClN3O5/c1-12(2,3)22-10(18)5-6-13(4,19)8-16-7-9(17(20)21)15-11(16)14/h7,19H,5-6,8H2,1-4H3