7-nitro-1-(phenylmethyl)imidazo[1,2-b]pyridazin-4-ium-8-olate

Systemtic Name: 7-nitro-1-(phenylmethyl)imidazo[1,2-b]pyridazin-4-ium-8-olate Openeye Name: 1-benzyl-7-nitro-imidazo[1,2-b]pyridazin-4-ium-8-olate CAS Name: 7-nitro-1-(phenylmethyl)-8-imidazo[1,2-b]pyridazin-4-iumolate IUPAC Name: 1-benzyl-7-nitroimidazo[1,2-b]pyridazin-4-ium-8-olate Traditional Name: 1-benzyl-7-nitro-imidazo[1,2-b]pyridazin-4-ium-8-olate Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C[N+]3=NC=C(C(=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C[N+]3=NC=C(C(=C23)[O-])[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