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

Systemtic Name: [3-[4-(3-carboxyoxy-6-chloranyl-1-ethyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-oxo-7-quinolyl)piperazin-1-yl]-1-phosphono-propyl]phosphonic acid CAS Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-oxo-7-quinolinyl)-1-piperazinyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-oxoquinolin-7-yl)piperazin-1-yl]-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[4-(3-carboxyoxy-6-chloro-1-ethyl-4-keto-7-quinolyl)piperazino]-1-phosphono-propyl]phosphonic acid Formula: C19H26ClN3O10P2 MolecularWeight: 553.824362

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H26ClN3O10P2/c1-2-22-11-16(33-19(25)26)18(24)12-9-13(20)15(10-14(12)22)23-7-5-21(6-8-23)4-3-17(34(27,28)29)35(30,31)32/h9-11,17H,2-8H2,1H3,(H,25,26)(H2,27,28,29)(H2,30,31,32)