3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride

Systemtic Name: 3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride Openeye Name: 3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride CAS Name: 3-(3-nitrophenyl)-5-(1-pyridin-1-iumylmethyl)-1,2,4-oxadiazole chloride IUPAC Name: 3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride Traditional Name: 3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride Formula: C14H11ClN4O3 MolecularWeight: 318.71514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H11N4O3.ClH/c19-18(20)12-6-4-5-11(9-12)14-15-13(21-16-14)10-17-7-2-1-3-8-17;/h1-9H,10H2;1H/q+1;/p-1