5-diazonio-7-nitro-2-phenyl-benzotriazol-4-olate

Systemtic Name: 5-diazonio-7-nitro-2-phenyl-benzotriazol-4-olate Openeye Name: 5-diazonio-7-nitro-2-phenyl-benzotriazol-4-olate CAS Name: 5-diazonio-7-nitro-2-phenyl-4-benzotriazololate IUPAC Name: 5-diazonio-7-nitro-2-phenylbenzotriazol-4-olate Traditional Name: 5-diazonio-7-nitro-2-phenyl-benzotriazol-4-olate Formula: C12H6N6O3 MolecularWeight: 282.21444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C(=CC(=C(C3=N2)[O-])[N+]#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C(=CC(=C(C3=N2)[O-])[N+]#N)[N+](=O)[O-]

InChI

InChI=1S/C12H6N6O3/c13-14-8-6-9(18(20)21)10-11(12(8)19)16-17(15-10)7-4-2-1-3-5-7/h1-6H