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

Systemtic Name: 3-[2-[2-(4-methylphenyl)ethynyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[2-[2-(p-tolyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[2-[2-(4-methylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[2-[2-(4-methylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[2-[2-(p-tolyl)ethynyl]phenyl]-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=CC=CC=C2[N+]3=CC(=O)ON3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=CC(=O)ON3

InChI

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