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

Systemtic Name: [4-oxidanylidene-3-(phenylcarbonyl)-1-phosphono-4-(pyridin-3-ylamino)butyl]phosphonic acid Openeye Name: [3-benzoyl-4-oxo-1-phosphono-4-(3-pyridylamino)butyl]phosphonic acid CAS Name: [3-benzoyl-4-oxo-1-phosphono-4-(3-pyridinylamino)butyl]phosphonic acid IUPAC Name: [3-benzoyl-4-oxo-1-phosphono-4-(pyridin-3-ylamino)butyl]phosphonic acid Traditional Name: [3-benzoyl-4-keto-1-phosphono-4-(3-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=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)NC2=CN=CC=C2

InChI

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