[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] N,N-diethylcarbamate

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] N,N-diethylcarbamate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl] ester IUPAC Name: [3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C12H19ClN4O5 MolecularWeight: 334.75606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OCC(C)(CN1C=C(N=C1Cl)[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)C(=O)OCC(C)(CN1C=C(N=C1Cl)[N+](=O)[O-])O

InChI

InChI=1S/C12H19ClN4O5/c1-4-15(5-2)11(18)22-8-12(3,19)7-16-6-9(17(20)21)14-10(16)13/h6,19H,4-5,7-8H2,1-3H3