6-diazonio-7-oxidanylidene-2-phenyl-3H-benzotriazole-4-carboxylate

Systemtic Name: 6-diazonio-7-oxidanylidene-2-phenyl-3H-benzotriazole-4-carboxylate Openeye Name: 6-diazonio-7-oxo-2-phenyl-3H-benzotriazole-4-carboxylate CAS Name: 6-diazonio-7-oxo-2-phenyl-3H-benzotriazole-4-carboxylate IUPAC Name: 6-diazonio-7-oxo-2-phenyl-3H-benzotriazole-4-carboxylate Traditional Name: 6-diazonio-7-keto-2-phenyl-3H-benzotriazole-4-carboxylate Formula: C13H7N5O3 MolecularWeight: 281.22638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2NC3=C(C=C(C(=O)C3=N2)[N+]#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2NC3=C(C=C(C(=O)C3=N2)[N+]#N)C(=O)[O-]

InChI

InChI=1S/C13H7N5O3/c14-15-9-6-8(13(20)21)10-11(12(9)19)17-18(16-10)7-4-2-1-3-5-7/h1-6H,(H-,16,19,20,21)