N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C15H13F3N4O4 MolecularWeight: 370.28333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N4O4/c16-15(17,18)11-3-4-12(13(8-11)22(25)26)19-5-6-20-14(23)10-2-1-7-21(24)9-10/h1-4,7-9,19H,5-6H2,(H,20,23)