1,3-benzoxazol-2-ylmethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H18F3N3O5 MolecularWeight: 449.37993

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3O2)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3O2)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N3O5/c22-21(23,24)14-5-6-16(17(11-14)27(29)30)26-9-7-13(8-10-26)20(28)31-12-19-25-15-3-1-2-4-18(15)32-19/h1-6,11,13H,7-10,12H2