[3-(4-methoxyphenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid

Systemtic Name: [3-(4-methoxyphenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: [3-(4-methoxybenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[(4-methoxyphenyl)-oxomethyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(4-methoxybenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: (5-p-anisoyl-3-phosphono-2-pyrazolin-3-yl)phosphonic acid Formula: C11H14N2O8P2 MolecularWeight: 364.184982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H14N2O8P2/c1-21-8-4-2-7(3-5-8)10(14)9-6-11(13-12-9,22(15,16)17)23(18,19)20/h2-5,13H,6H2,1H3,(H2,15,16,17)(H2,18,19,20)