4-[2-(4-methylphenyl)ethynyl]-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-[2-(4-methylphenyl)ethynyl]-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-phenyl-4-[2-(p-tolyl)ethynyl]-2H-oxadiazol-3-ium-5-one CAS Name: 4-[2-(4-methylphenyl)ethynyl]-3-phenyl-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-[2-(4-methylphenyl)ethynyl]-3-phenyl-2H-oxadiazol-3-ium-5-one Traditional Name: 3-phenyl-4-[2-(p-tolyl)ethynyl]-2H-oxadiazol-3-ium-5-one Formula: C17H13N2O2+ MolecularWeight: 277.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=[N+](NOC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=[N+](NOC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H12N2O2/c1-13-7-9-14(10-8-13)11-12-16-17(20)21-18-19(16)15-5-3-2-4-6-15/h2-10H,1H3/p+1