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

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C15H10N4O6 MolecularWeight: 342.2631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O6/c20-15(11-5-7-18(21)8-6-11)24-9-13-16-17-14(25-13)10-1-3-12(4-2-10)19(22)23/h1-8H,9H2