4-(2-methylpropanoyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(2-methylpropanoyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(2-methylpropanoyl)-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-(2-methyl-1-oxopropyl)-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(2-methylpropanoyl)-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-isobutyryl-3-phenyl-oxadiazol-3-ium-5-olate Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(ON=[N+]1C2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)C(=O)C1=C(ON=[N+]1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H12N2O3/c1-8(2)11(15)10-12(16)17-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3