3-(3-methylphenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

Systemtic Name: 3-(3-methylphenyl)-1,2,3,4-oxatriazol-3-ium-5-olate Openeye Name: 3-(m-tolyl)oxatriazol-3-ium-5-olate CAS Name: 3-(3-methylphenyl)-5-oxatriazol-3-iumolate IUPAC Name: 3-(3-methylphenyl)oxatriazol-3-ium-5-olate Traditional Name: 3-(m-tolyl)oxatriazol-3-ium-5-olate Formula: C8H7N3O2 MolecularWeight: 177.16008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=NOC(=N2)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=NOC(=N2)[O-]

InChI

InChI=1S/C8H7N3O2/c1-6-3-2-4-7(5-6)11-9-8(12)13-10-11/h2-5H,1H3