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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(4-methoxyphenyl)piperazine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-(4-methoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(4-methoxyphenyl)-1-piperazinecarboxylic 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] 4-(4-methoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(4-methoxyphenyl)piperazine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C19H24ClN5O6 MolecularWeight: 453.87676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C19H24ClN5O6/c1-19(27,12-24-11-16(25(28)29)21-17(24)20)13-31-18(26)23-9-7-22(8-10-23)14-3-5-15(30-2)6-4-14/h3-6,11,27H,7-10,12-13H2,1-2H3