2-[1,6-dimethyl-3-nitro-2-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1,6-dimethyl-3-nitro-2-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[2-keto-1,6-dimethyl-3-nitro-4-[4-(trifluoromethyl)benzyl]pyridin-1-ium-1-yl]acetate Formula: C17H15F3N2O5 MolecularWeight: 384.30661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])[N+](=O)[O-])CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])[N+](=O)[O-])CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O5/c1-10-7-12(8-11-3-5-13(6-4-11)17(18,19)20)15(21(26)27)16(25)22(10,2)9-14(23)24/h3-7H,8-9H2,1-2H3