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

Systemtic Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-[2-(4-nitrophenyl)ethynyl]-3-phenyl-oxadiazol-3-ium-5-olate Formula: C16H9N3O4 MolecularWeight: 307.26036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=NOC(=C2C#CC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=NOC(=C2C#CC3=CC=C(C=C3)[N+](=O)[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