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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(4-fluorophenyl)piperazine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-(4-fluorophenyl)piperazine-1-carboxylate CAS Name: 4-(4-fluorophenyl)-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-fluorophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C18H21ClFN5O5 MolecularWeight: 441.841243

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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)F)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN5O5/c1-18(27,11-24-10-15(25(28)29)21-16(24)19)12-30-17(26)23-8-6-22(7-9-23)14-4-2-13(20)3-5-14/h2-5,10,27H,6-9,11-12H2,1H3