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

Systemtic Name: 2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-piperazine-1-carboxylate Openeye Name: isobutyl 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-piperazine-1-carboxylate CAS Name: 3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxypiperazine-1-carboxylate Traditional Name: 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-piperazine-1-carboxylic acid isobutyl ester Formula: C12H18ClN5O5 MolecularWeight: 347.75482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCNC(C1O)N2C=C(N=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)N1CCNC(C1O)N2C=C(N=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H18ClN5O5/c1-7(2)6-23-12(20)16-4-3-14-9(10(16)19)17-5-8(18(21)22)15-11(17)13/h5,7,9-10,14,19H,3-4,6H2,1-2H3