[3-[4-(3-carboxyoxy-6-chloranyl-1-ethyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[4-(3-carboxyoxy-6-chloranyl-1-ethyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-oxo-7-quinolyl)piperazin-1-yl]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-oxo-7-quinolinyl)-1-piperazinyl]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-oxoquinolin-7-yl)piperazin-1-yl]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-keto-7-quinolyl)piperazino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C19H26ClN3O11P2 MolecularWeight: 569.823762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCC(O)(P(=O)(O)O)P(=O)(O)O)Cl)OC(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCC(O)(P(=O)(O)O)P(=O)(O)O)Cl)OC(=O)O

InChI

InChI=1S/C19H26ClN3O11P2/c1-2-22-11-16(34-18(25)26)17(24)12-9-13(20)15(10-14(12)22)23-7-5-21(6-8-23)4-3-19(27,35(28,29)30)36(31,32)33/h9-11,27H,2-8H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33)