2-(6-oxidanylidene-3-phenyl-3H-pyridazin-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(6-oxidanylidene-3-phenyl-3H-pyridazin-1-ium-1-yl)propanoic acid Openeye Name: 2-(6-oxo-3-phenyl-3H-pyridazin-1-ium-1-yl)propanoic acid CAS Name: 2-(6-oxo-3-phenyl-3H-pyridazin-1-ium-1-yl)propanoic acid IUPAC Name: 2-(6-oxo-3-phenyl-3H-pyridazin-1-ium-1-yl)propanoic acid Traditional Name: 2-(6-keto-3-phenyl-3H-pyridazin-1-ium-1-yl)propionic acid Formula: C13H13N2O3+ MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=NC(C=CC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)[N+]1=NC(C=CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3/c1-9(13(17)18)15-12(16)8-7-11(14-15)10-5-3-2-4-6-10/h2-9,11H,1H3/p+1