7-nitro-1-(phenylmethyl)-5H-imidazo[1,2-b]pyridazin-1-ium-8-one

Systemtic Name: 7-nitro-1-(phenylmethyl)-5H-imidazo[1,2-b]pyridazin-1-ium-8-one Openeye Name: 1-benzyl-7-nitro-5H-imidazo[1,2-b]pyridazin-1-ium-8-one CAS Name: 7-nitro-1-(phenylmethyl)-5H-imidazo[1,2-b]pyridazin-1-ium-8-one IUPAC Name: 1-benzyl-7-nitro-5H-imidazo[1,2-b]pyridazin-1-ium-8-one Traditional Name: 1-benzyl-7-nitro-5H-imidazo[1,2-b]pyridazin-1-ium-8-one Formula: C13H11N4O3+ MolecularWeight: 271.25144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C(=O)C(=CNN3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C(=O)C(=CNN3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O3/c18-12-11(17(19)20)8-14-16-7-6-15(13(12)16)9-10-4-2-1-3-5-10/h1-8H,9H2/p+1