[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-propyl] piperazine-1-carboxylate

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-propyl] piperazine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-propyl] piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxypropyl] ester IUPAC Name: [3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-propyl] ester Formula: C11H16ClN5O5 MolecularWeight: 333.72824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)OCC(CN2C=C(N=C2Cl)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1)C(=O)OCC(CN2C=C(N=C2Cl)[N+](=O)[O-])O

InChI

InChI=1S/C11H16ClN5O5/c12-10-14-9(17(20)21)6-16(10)5-8(18)7-22-11(19)15-3-1-13-2-4-15/h6,8,13,18H,1-5,7H2