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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)[O-]

InChI

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