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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(3-chlorophenyl)piperazine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-(3-chlorophenyl)piperazine-1-carboxylate CAS Name: 4-(3-chlorophenyl)-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-chlorophenyl)piperazine-1-carboxylate Traditional Name: 4-(3-chlorophenyl)piperazine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C18H21Cl2N5O5 MolecularWeight: 458.29584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N5O5/c1-18(27,11-24-10-15(25(28)29)21-16(24)20)12-30-17(26)23-7-5-22(6-8-23)14-4-2-3-13(19)9-14/h2-4,9-10,27H,5-8,11-12H2,1H3