2-[4-methyl-2-[1-oxidanidyl-6-(trifluoromethyl)pyridin-1-ium-3-yl]-1,3-thiazol-5-yl]ethyl nitrate

Systemtic Name: 2-[4-methyl-2-[1-oxidanidyl-6-(trifluoromethyl)pyridin-1-ium-3-yl]-1,3-thiazol-5-yl]ethyl nitrate Openeye Name: 2-[4-methyl-2-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]thiazol-5-yl]ethyl nitrate CAS Name: nitric acid 2-[4-methyl-2-[1-oxido-6-(trifluoromethyl)-3-pyridin-1-iumyl]-5-thiazolyl]ethyl ester IUPAC Name: 2-[4-methyl-2-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]-1,3-thiazol-5-yl]ethyl nitrate Traditional Name: nitric acid 2-[4-methyl-2-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]thiazol-5-yl]ethyl ester Formula: C12H10F3N3O4S MolecularWeight: 349.28571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C[N+](=C(C=C2)C(F)(F)F)[O-])CCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C[N+](=C(C=C2)C(F)(F)F)[O-])CCO[N+](=O)[O-]

InChI

InChI=1S/C12H10F3N3O4S/c1-7-9(4-5-22-18(20)21)23-11(16-7)8-2-3-10(12(13,14)15)17(19)6-8/h2-3,6H,4-5H2,1H3