1-(2-carboxyethyl)-2-oxidanylidene-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-3-carboxylic acid

Systemtic Name: 1-(2-carboxyethyl)-2-oxidanylidene-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-3-carboxylic acid Openeye Name: 1-(2-carboxyethyl)-2-oxo-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-3-carboxylic acid CAS Name: 1-(2-carboxyethyl)-2-oxo-5-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-3-pyridazin-2-iumcarboxylic acid IUPAC Name: 1-(2-carboxyethyl)-2-oxo-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-3-carboxylic acid Traditional Name: 1-(2-carboxyethyl)-2-keto-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-3-carboxylic acid Formula: C21H17N4O5+ MolecularWeight: 405.38348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CN([N+](=O)C(=C4)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CN([N+](=O)C(=C4)C(=O)O)CCC(=O)O

InChI

InChI=1S/C21H16N4O5/c26-18(27)9-11-23-13-15(12-17(21(28)29)25(23)30)19-16-8-4-5-10-24(16)22-20(19)14-6-2-1-3-7-14/h1-8,10,12-13H,9,11H2,(H-,26,27,28,29)/p+1