[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CO3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CO3)[O-]

InChI

InChI=1S/C14H10N2O5/c17-14(11-4-1-2-6-16(11)18)20-9-10-8-13(21-15-10)12-5-3-7-19-12/h1-8H,9H2