2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

Systemtic Name: 2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate Openeye Name: isobutyl 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate CAS Name: 3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-4-[4-(trifluoromethyl)phenoxy]-1-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate Traditional Name: 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid isobutyl ester Formula: C20H22ClF3N4O6 MolecularWeight: 506.86009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCC(C(C1O)N2C=C(N=C2Cl)[N+](=O)[O-])OC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)COC(=O)N1CCC(C(C1O)N2C=C(N=C2Cl)[N+](=O)[O-])OC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22ClF3N4O6/c1-11(2)10-33-19(30)26-8-7-14(34-13-5-3-12(4-6-13)20(22,23)24)16(17(26)29)27-9-15(28(31)32)25-18(27)21/h3-6,9,11,14,16-17,29H,7-8,10H2,1-2H3