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

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-3-nitro-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-3-nitro-2-oxo-pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-3-nitro-2-oxo-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-3-nitro-2-oxopyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-fluorobenzyl)-2-keto-1,6-dimethyl-3-nitro-pyridin-1-ium-1-yl]acetate Formula: C16H15FN2O5 MolecularWeight: 334.299103

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O5/c1-10-7-12(8-11-3-5-13(17)6-4-11)15(18(23)24)16(22)19(10,2)9-14(20)21/h3-7H,8-9H2,1-2H3