methyl 4-[2-(5-oxidanylidene-3-phenyl-2H-1,2,3-oxadiazol-3-ium-4-yl)ethynyl]benzoate

Systemtic Name: methyl 4-[2-(5-oxidanylidene-3-phenyl-2H-1,2,3-oxadiazol-3-ium-4-yl)ethynyl]benzoate Openeye Name: methyl 4-[2-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)ethynyl]benzoate CAS Name: 4-[2-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)ethynyl]benzoate Traditional Name: 4-[2-(5-keto-3-phenyl-2H-oxadiazol-3-ium-4-yl)ethynyl]benzoic acid methyl ester Formula: C18H13N2O4+ MolecularWeight: 321.30682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O4/c1-23-17(21)14-10-7-13(8-11-14)9-12-16-18(22)24-19-20(16)15-5-3-2-4-6-15/h2-8,10-11H,1H3/p+1