1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-oxopyridazin-3-olate Traditional Name: 6-keto-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-olate Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C=CC(=N2)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C=CC(=N2)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c21-14-5-6-15(22)19(16-14)11-17-7-9-18(10-8-17)12-1-3-13(4-2-12)20(23)24/h1-6H,7-11H2,(H,16,21)