[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C12H13N4O4+ MolecularWeight: 277.25602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C12H12N4O4/c1-7-5-9(16-20-7)15-10(17)6-19-12(18)8-3-2-4-14-11(8)13/h2-5H,6H2,1H3,(H2,13,14)(H,15,16,17)/p+1