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

Systemtic Name: 3-[2-[[2-(2-methylphenoxy)pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[[2-(2-methylphenoxy)-3-pyridyl]methylamino]-2-oxo-ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[[2-(2-methylphenoxy)pyridin-3-yl]methylamino]-2-oxoethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-keto-2-[[2-(2-methylphenoxy)-3-pyridyl]methylamino]ethyl]oxadiazol-3-ium-5-olate Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C=CC=N2)CNC(=O)C[N+]3=NOC(=C3)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C=CC=N2)CNC(=O)C[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C17H16N4O4/c1-12-5-2-3-7-14(12)24-17-13(6-4-8-18-17)9-19-15(22)10-21-11-16(23)25-20-21/h2-8,11H,9-10H2,1H3,(H-,19,20,22,23)