2-[4-methyl-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]-1,3-thiazol-5-yl]ethyl nitrate

Systemtic Name: 2-[4-methyl-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]-1,3-thiazol-5-yl]ethyl nitrate Openeye Name: 2-[4-methyl-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]thiazol-5-yl]ethyl nitrate CAS Name: nitric acid 2-[4-methyl-2-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]-5-thiazolyl]ethyl ester IUPAC Name: 2-[4-methyl-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1,3-thiazol-5-yl]ethyl nitrate Traditional Name: nitric acid 2-[4-methyl-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]thiazol-5-yl]ethyl ester Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O5S/c1-8-10(4-6-21-16(19)20)22-12(13-8)14-11(17)9-3-2-5-15(18)7-9/h2-3,5,7H,4,6H2,1H3,(H,13,14,17)