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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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