2-[3-(3-nitrophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[3-(3-nitrophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid Openeye Name: 2-[3-(3-nitrophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 2-[3-(3-nitrophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid IUPAC Name: 2-[3-(3-nitrophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid Traditional Name: 2-[6-keto-3-(3-nitrophenyl)-3H-pyridazin-1-ium-1-yl]propionic acid Formula: C13H12N3O5+ MolecularWeight: 290.25148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c1-8(13(18)19)15-12(17)6-5-11(14-15)9-3-2-4-10(7-9)16(20)21/h2-8,11H,1H3/p+1