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

Systemtic Name: 2-[1,6-dimethyl-3-nitro-2-oxidanylidene-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-[4-(trifluoromethyl)phenyl]-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-keto-1,6-dimethyl-3-nitro-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium-1-yl]acetic acid Formula: C16H14F3N2O5+ MolecularWeight: 371.28797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O5/c1-9-7-12(10-3-5-11(6-4-10)16(17,18)19)14(20(25)26)15(24)21(9,2)8-13(22)23/h3-7H,8H2,1-2H3/p+1