[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C15H17N3O5/c1-15(2,3)11-8-13(23-17-11)16-12(19)9-22-14(20)10-4-6-18(21)7-5-10/h4-8H,9H2,1-3H3,(H,16,19)