(3S)-1-[4-nitro-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[4-nitro-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[4-nitro-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-nitro-3-(trifluoromethyl)phenyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-nitro-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-nitro-3-(trifluoromethyl)phenyl]nipecotate Formula: C13H12F3N2O4- MolecularWeight: 317.24059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H13F3N2O4/c14-13(15,16)10-6-9(3-4-11(10)18(21)22)17-5-1-2-8(7-17)12(19)20/h3-4,6,8H,1-2,5,7H2,(H,19,20)/p-1/t8-/m0/s1