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

Systemtic Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-2H-oxadiazol-3-ium-5-one CAS Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-2H-oxadiazol-3-ium-5-one Traditional Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-2H-oxadiazol-3-ium-5-one Formula: C16H10N3O4+ MolecularWeight: 308.2683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C#CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C#CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O4/c20-16-15(18(17-23-16)13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)19(21)22/h1-7,9-10H/p+1