1,1-dimethyl-7-nitro-benzotriazol-1-ium

Systemtic Name: 1,1-dimethyl-7-nitro-benzotriazol-1-ium Openeye Name: 1,1-dimethyl-7-nitro-benzotriazol-1-ium CAS Name: 1,1-dimethyl-7-nitrobenzotriazol-1-ium IUPAC Name: 1,1-dimethyl-7-nitrobenzotriazol-1-ium Traditional Name: 1,1-dimethyl-7-nitro-benzotriazol-1-ium Formula: C8H9N4O2+ MolecularWeight: 193.18266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=CC=C2[N+](=O)[O-])N=N1)C

Isomeric SMILES

C[N+]1(C2=C(C=CC=C2[N+](=O)[O-])N=N1)C

InChI

InChI=1S/C8H9N4O2/c1-12(2)8-6(9-10-12)4-3-5-7(8)11(13)14/h3-5H,1-2H3/q+1