[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C14H10N2O5 MolecularWeight: 286.2396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NO2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=COC(=C1)C2=CC(=NO2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

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