(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H18F3N3O5S MolecularWeight: 481.44493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=COC(=N2)C3=CC=CS3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=COC(=N2)C3=CC=CS3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N3O5S/c22-21(23,24)14-3-4-16(17(10-14)27(29)30)26-7-5-13(6-8-26)20(28)32-12-15-11-31-19(25-15)18-2-1-9-33-18/h1-4,9-11,13H,5-8,12H2