3-(benzotriazol-1-yl)-1-phenyl-3H-pyridazin-1-ium-4-one

Systemtic Name: 3-(benzotriazol-1-yl)-1-phenyl-3H-pyridazin-1-ium-4-one Openeye Name: 3-(benzotriazol-1-yl)-1-phenyl-3H-pyridazin-1-ium-4-one CAS Name: 3-(1-benzotriazolyl)-1-phenyl-3H-pyridazin-1-ium-4-one IUPAC Name: 3-(benzotriazol-1-yl)-1-phenyl-3H-pyridazin-1-ium-4-one Traditional Name: 3-(benzotriazol-1-yl)-1-phenyl-3H-pyridazin-1-ium-4-one Formula: C16H12N5O+ MolecularWeight: 290.29938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=NC(C(=O)C=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=NC(C(=O)C=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H12N5O/c22-15-10-11-20(12-6-2-1-3-7-12)18-16(15)21-14-9-5-4-8-13(14)17-19-21/h1-11,16H/q+1