2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-4-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxylate

Systemtic Name: 2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-4-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxylate Openeye Name: isobutyl 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-4-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxylate CAS Name: 3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-4-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-4-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxylate Traditional Name: 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-4-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxylic acid isobutyl ester Formula: C19H21ClF3N5O6 MolecularWeight: 507.84815

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(C(C1O)N2C=C(N=C2Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)COC(=O)N1CCN(C(C1O)N2C=C(N=C2Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H21ClF3N5O6/c1-11(2)10-33-18(30)26-8-7-25(12-3-5-13(6-4-12)34-19(21,22)23)15(16(26)29)27-9-14(28(31)32)24-17(27)20/h3-6,9,11,15-16,29H,7-8,10H2,1-2H3