N-[2-[3-chloranyl-1-oxidanidyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-nitro-pyrazol-3-yl]propanamide

Systemtic Name: N-[2-[3-chloranyl-1-oxidanidyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-nitro-pyrazol-3-yl]propanamide Openeye Name: N-[2-[3-chloro-1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-nitro-pyrazol-3-yl]propanamide CAS Name: N-[2-[3-chloro-1-oxido-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-nitro-3-pyrazolyl]propanamide IUPAC Name: N-[2-[3-chloro-1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-nitropyrazol-3-yl]propanamide Traditional Name: N-[2-[3-chloro-1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-nitro-pyrazol-3-yl]propionamide Formula: C12H9ClF3N5O4 MolecularWeight: 379.67917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=NN1C2=C(C=C(C=[N+]2[O-])C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C=NN1C2=C(C=C(C=[N+]2[O-])C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClF3N5O4/c1-2-9(22)18-10-8(21(24)25)4-17-20(10)11-7(13)3-6(5-19(11)23)12(14,15)16/h3-5H,2H2,1H3,(H,18,22)