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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(3,4-dichlorophenyl)piperazine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-(3,4-dichlorophenyl)piperazine-1-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)piperazine-1-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)piperazine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C18H20Cl3N5O5 MolecularWeight: 492.7409

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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)Cl)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl3N5O5/c1-18(28,10-25-9-15(26(29)30)22-16(25)21)11-31-17(27)24-6-4-23(5-7-24)12-2-3-13(19)14(20)8-12/h2-3,8-9,28H,4-7,10-11H2,1H3