(4-nitrophenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (4-nitrophenyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (4-nitrophenyl) ester Formula: C18H16F3N3O4 MolecularWeight: 395.33255

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O4/c19-18(20,21)13-1-6-16(22-11-13)23-9-7-12(8-10-23)17(25)28-15-4-2-14(3-5-15)24(26)27/h1-6,11-12H,7-10H2