3-phenyl-4-[(E)-4-phenylbut-3-en-1-ynyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-phenyl-4-[(E)-4-phenylbut-3-en-1-ynyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-phenyl-4-[(E)-4-phenylbut-3-en-1-ynyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-phenyl-4-[(E)-4-phenylbut-3-en-1-ynyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-phenyl-4-[(E)-4-phenylbut-3-en-1-ynyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-phenyl-4-[(E)-4-phenylbut-3-en-1-ynyl]-2H-oxadiazol-3-ium-5-one Formula: C18H13N2O2+ MolecularWeight: 289.30802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O2/c21-18-17(14-8-7-11-15-9-3-1-4-10-15)20(19-22-18)16-12-5-2-6-13-16/h1-7,9-13H/p+1/b11-7+