2-[6-methyl-3-nitro-2-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethylsulfonyloxy)pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-nitro-2-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethylsulfonyloxy)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-benzyl-6-methyl-3-nitro-2-oxo-4-(trifluoromethylsulfonyloxy)pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[6-methyl-3-nitro-2-oxo-1-(phenylmethyl)-4-(trifluoromethylsulfonyloxy)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[1-benzyl-6-methyl-3-nitro-2-oxo-4-(trifluoromethylsulfonyloxy)pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-(1-benzyl-2-keto-6-methyl-3-nitro-4-triflyloxy-pyridin-1-ium-1-yl)acetic acid Formula: C16H14F3N2O8S+ MolecularWeight: 451.35117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O8S/c1-10-7-12(29-30(27,28)16(17,18)19)14(20(25)26)15(24)21(10,9-13(22)23)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/p+1