3-[2-[2-(4-aminophenyl)ethynyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[2-(4-aminophenyl)ethynyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[2-(4-aminophenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[2-(4-aminophenyl)ethynyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[2-(4-aminophenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-[2-(4-aminophenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate Formula: C16H11N3O2 MolecularWeight: 277.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)N)[N+]3=NOC(=C3)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)N)[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C16H11N3O2/c17-14-9-6-12(7-10-14)5-8-13-3-1-2-4-15(13)19-11-16(20)21-18-19/h1-4,6-7,9-11H,(H2-,17,18,20)