2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]-4-nitro-phenolate CAS Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]-4-nitrophenolate Traditional Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]-4-nitro-phenolate Formula: C15H12ClF3N4O3 MolecularWeight: 388.72899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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