2-oxidanylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)piperazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCNC(C1)N2C=C(N=C2Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(COC(=O)N1CCNC(C1)N2C=C(N=C2Cl)[N+](=O)[O-])O

InChI

InChI=1S/C11H16ClN5O5/c1-7(18)6-22-11(19)15-3-2-13-8(4-15)16-5-9(17(20)21)14-10(16)12/h5,7-8,13,18H,2-4,6H2,1H3