6-methyl-1-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate

Systemtic Name: 6-methyl-1-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate Openeye Name: 6-methyl-1-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate CAS Name: 6-methyl-1-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate IUPAC Name: 6-methyl-1-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate Traditional Name: 6-methyl-1-(2-nitrobenzyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+]2=C(C(=C1)[O-])N(N=C2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=N[N+]2=C(C(=C1)[O-])N(N=C2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3/c1-9-6-12(19)13-16(14-8-17(13)15-9)7-10-4-2-3-5-11(10)18(20)21/h2-6,8H,7H2,1H3