(4-nitrophenyl)-[3-oxidanyl-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

Systemtic Name: (4-nitrophenyl)-[3-oxidanyl-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: [3-hydroxy-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone CAS Name: [3-hydroxy-3-(4-pyridin-1-iumyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone IUPAC Name: [3-hydroxy-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone Traditional Name: [5-hydroxy-5-pyridin-1-ium-4-yl-3-(trifluoromethyl)-3-pyrazolin-1-yl]-(4-nitrophenyl)methanone Formula: C16H12F3N4O4+ MolecularWeight: 381.28609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC=[NH+]C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC=[NH+]C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N4O4/c17-16(18,19)13-9-15(25,11-5-7-20-8-6-11)22(21-13)14(24)10-1-3-12(4-2-10)23(26)27/h1-9,21,25H/p+1