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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-oxatriazol-3-ium-5-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)oxatriazol-3-ium-5-olate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-oxatriazol-3-iumolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)oxatriazol-3-ium-5-olate Traditional Name: 3-piperonyloxatriazol-3-ium-5-olate Formula: C9H7N3O4 MolecularWeight: 221.16958

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[N+]3=NOC(=N3)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[N+]3=NOC(=N3)[O-]

InChI

InChI=1S/C9H7N3O4/c13-9-10-12(11-16-9)4-6-1-2-7-8(3-6)15-5-14-7/h1-3H,4-5H2