3-[2-oxidanylidene-2-[(2-phenoxypyridin-3-yl)methylamino]ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-oxidanylidene-2-[(2-phenoxypyridin-3-yl)methylamino]ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-oxo-2-[(2-phenoxy-3-pyridyl)methylamino]ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-oxo-2-[(2-phenoxy-3-pyridinyl)methylamino]ethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-oxo-2-[(2-phenoxypyridin-3-yl)methylamino]ethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-keto-2-[(2-phenoxy-3-pyridyl)methylamino]ethyl]oxadiazol-3-ium-5-olate Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)CNC(=O)C[N+]3=NOC(=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)CNC(=O)C[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C16H14N4O4/c21-14(10-20-11-15(22)24-19-20)18-9-12-5-4-8-17-16(12)23-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H-,18,19,21,22)