4-(2-methoxy-2-oxidanylidene-ethyl)-3-phenethyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)-3-phenethyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(2-methoxy-2-oxo-ethyl)-3-phenethyl-oxadiazol-3-ium-5-olate CAS Name: 4-(2-methoxy-2-oxoethyl)-3-phenethyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(2-methoxy-2-oxoethyl)-3-phenethyloxadiazol-3-ium-5-olate Traditional Name: 4-(2-keto-2-methoxy-ethyl)-3-phenethyl-oxadiazol-3-ium-5-olate Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(ON=[N+]1CCC2=CC=CC=C2)[O-]

Isomeric SMILES

COC(=O)CC1=C(ON=[N+]1CCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H14N2O4/c1-18-12(16)9-11-13(17)19-14-15(11)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3