5-nitro-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]benzonitrile CAS Name: 5-nitro-2-[(3R)-3-(trifluoromethyl)-1-piperidinyl]benzonitrile IUPAC Name: 5-nitro-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[(3R)-3-(trifluoromethyl)piperidino]benzonitrile Formula: C13H12F3N3O2 MolecularWeight: 299.24849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O2/c14-13(15,16)10-2-1-5-18(8-10)12-4-3-11(19(20)21)6-9(12)7-17/h3-4,6,10H,1-2,5,8H2/t10-/m1/s1