3-but-3-enyl-4-phenyl-4,5-dihydro-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-but-3-enyl-4-phenyl-4,5-dihydro-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-but-3-enyl-4-phenyl-4,5-dihydrooxadiazol-3-ium-5-olate CAS Name: 3-but-3-enyl-4-phenyl-4,5-dihydrooxadiazol-3-ium-5-olate IUPAC Name: 3-but-3-enyl-4-phenyl-4,5-dihydrooxadiazol-3-ium-5-olate Traditional Name: 3-but-3-enyl-4-phenyl-4,5-dihydrooxadiazol-3-ium-5-olate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC[N+]1=NOC(C1C2=CC=CC=C2)[O-]

Isomeric SMILES

C=CCC[N+]1=NOC(C1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H14N2O2/c1-2-3-9-14-11(12(15)16-13-14)10-7-5-4-6-8-10/h2,4-8,11-12H,1,3,9H2