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

Systemtic Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H10ClN3O4 MolecularWeight: 331.7106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

InChI

InChI=1S/C15H10ClN3O4/c16-12-4-2-1-3-11(12)14-17-13(23-18-14)9-22-15(20)10-5-7-19(21)8-6-10/h1-8H,9H2