2-[3-(4-bromophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[3-(4-bromophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid Openeye Name: 2-[3-(4-bromophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 2-[3-(4-bromophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid IUPAC Name: 2-[3-(4-bromophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid Traditional Name: 2-[3-(4-bromophenyl)-6-keto-3H-pyridazin-1-ium-1-yl]propionic acid Formula: C13H12BrN2O3+ MolecularWeight: 324.14998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O3/c1-8(13(18)19)16-12(17)7-6-11(15-16)9-2-4-10(14)5-3-9/h2-8,11H,1H3/p+1