1-[[3-(azaniumylmethyl)phenyl]methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[[3-(azaniumylmethyl)phenyl]methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[[3-(azaniumylmethyl)phenyl]methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[[3-(ammoniomethyl)phenyl]methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[[3-(azaniumylmethyl)phenyl]methyl]-6-oxopyridazin-3-olate Traditional Name: 1-[3-(ammoniomethyl)benzyl]-6-keto-pyridazin-3-olate Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C[NH3+])CN2C(=O)C=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C[NH3+])CN2C(=O)C=CC(=N2)[O-]

InChI

InChI=1S/C12H13N3O2/c13-7-9-2-1-3-10(6-9)8-15-12(17)5-4-11(16)14-15/h1-6H,7-8,13H2,(H,14,16)