[4-oxidanylidene-3-(phenylcarbonyl)-1-phosphono-4-(pyridin-2-ylamino)butyl]phosphonic acid

Systemtic Name: [4-oxidanylidene-3-(phenylcarbonyl)-1-phosphono-4-(pyridin-2-ylamino)butyl]phosphonic acid Openeye Name: [3-benzoyl-4-oxo-1-phosphono-4-(2-pyridylamino)butyl]phosphonic acid CAS Name: [3-benzoyl-4-oxo-1-phosphono-4-(2-pyridinylamino)butyl]phosphonic acid IUPAC Name: [3-benzoyl-4-oxo-1-phosphono-4-(pyridin-2-ylamino)butyl]phosphonic acid Traditional Name: [3-benzoyl-4-keto-1-phosphono-4-(2-pyridylamino)butyl]phosphonic acid Formula: C16H18N2O8P2 MolecularWeight: 428.270242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)NC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)NC2=CC=CC=N2

InChI

InChI=1S/C16H18N2O8P2/c19-15(11-6-2-1-3-7-11)12(10-14(27(21,22)23)28(24,25)26)16(20)18-13-8-4-5-9-17-13/h1-9,12,14H,10H2,(H,17,18,20)(H2,21,22,23)(H2,24,25,26)