2-(4-bromophenyl)pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate

Systemtic Name: 2-(4-bromophenyl)pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate Openeye Name: 2-(4-bromophenyl)pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate CAS Name: 2-(4-bromophenyl)-4-pyrido[2,1-f][1,2,4]triazin-9-iumolate IUPAC Name: 2-(4-bromophenyl)pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate Traditional Name: 2-(4-bromophenyl)pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate Formula: C13H8BrN3O MolecularWeight: 302.12612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC=[N+]2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C13H8BrN3O/c14-10-6-4-9(5-7-10)12-15-13(18)11-3-1-2-8-17(11)16-12/h1-8H