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

Systemtic Name: [3-(4-morpholin-4-ylphenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: [3-(4-morpholinobenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[[4-(4-morpholinyl)phenyl]-oxomethyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(4-morpholin-4-ylbenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-(4-morpholinobenzoyl)-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C14H19N3O8P2 MolecularWeight: 419.263482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)C3=NNC(C3)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)C3=NNC(C3)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H19N3O8P2/c18-13(10-1-3-11(4-2-10)17-5-7-25-8-6-17)12-9-14(16-15-12,26(19,20)21)27(22,23)24/h1-4,16H,5-9H2,(H2,19,20,21)(H2,22,23,24)