3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 4-(hydroxymethyl)-3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 4-(hydroxymethyl)-3-[4-[4-(iminomethylidene)-1-piperazin-4-iumyl]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 4-(hydroxymethyl)-3-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4-methylol-4,5-dihydro-1H-pyridazin-6-one Formula: C16H19N6O4+ MolecularWeight: 359.35986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C=N)CCN1C2=C(C=C(C=C2)C3=NNC(=O)CC3CO)[N+](=O)[O-]

Isomeric SMILES

C1C[N+](=C=N)CCN1C2=C(C=C(C=C2)C3=NNC(=O)CC3CO)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c17-10-20-3-5-21(6-4-20)13-2-1-11(7-14(13)22(25)26)16-12(9-23)8-15(24)18-19-16/h1-2,7,12,17,23H,3-6,8-9H2/p+1