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

Systemtic Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C15H10BrN3O4 MolecularWeight: 376.1616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-])Br

InChI

InChI=1S/C15H10BrN3O4/c16-12-4-2-1-3-11(12)14-18-17-13(23-14)9-22-15(20)10-5-7-19(21)8-6-10/h1-8H,9H2