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

Systemtic Name: 3-[2-[2-(4-ethanoylphenyl)ethynyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[2-[2-(4-acetylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[2-[2-(4-acetylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[2-[2-(4-acetylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[2-[2-(4-acetylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one Formula: C18H13N2O3+ MolecularWeight: 305.30742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O3/c1-13(21)15-9-6-14(7-10-15)8-11-16-4-2-3-5-17(16)20-12-18(22)23-19-20/h2-7,9-10,12H,1H3/p+1