N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-nitro-benzamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-nitro-benzamide Formula: C15H13ClF3N4O3+ MolecularWeight: 389.73693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C15H12ClF3N4O3/c16-12-7-10(15(17,18)19)8-22-13(12)20-4-5-21-14(24)9-2-1-3-11(6-9)23(25)26/h1-3,6-8H,4-5H2,(H,20,22)(H,21,24)/p+1