(5-phosphono-3-pyridin-3-ylcarbonyl-1,4-dihydropyrazol-5-yl)phosphonic acid

Systemtic Name: (5-phosphono-3-pyridin-3-ylcarbonyl-1,4-dihydropyrazol-5-yl)phosphonic acid Openeye Name: [5-phosphono-3-(pyridine-3-carbonyl)-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[oxo(3-pyridinyl)methyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [5-phosphono-3-(pyridine-3-carbonyl)-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: (5-nicotinoyl-3-phosphono-2-pyrazolin-3-yl)phosphonic acid Formula: C9H11N3O7P2 MolecularWeight: 335.147062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1C(=NNC1(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C9H11N3O7P2/c13-8(6-2-1-3-10-5-6)7-4-9(12-11-7,20(14,15)16)21(17,18)19/h1-3,5,12H,4H2,(H2,14,15,16)(H2,17,18,19)