(E)-2-[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]but-2-enedioic acid

Systemtic Name: (E)-2-[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]but-2-enedioic acid Openeye Name: (E)-2-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)piperazin-1-yl]but-2-enedioic acid CAS Name: (E)-2-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-2-butenedioic acid IUPAC Name: (E)-2-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]but-2-enedioic acid Traditional Name: (E)-2-[4-(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)piperazino]but-2-enedioic acid Formula: C20H20FN3O7 MolecularWeight: 433.387103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=CC(=O)O)C(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)/C(=C/C(=O)O)/C(=O)O)F)C(=O)O

InChI

InChI=1S/C20H20FN3O7/c1-2-22-10-12(19(28)29)18(27)11-7-13(21)15(8-14(11)22)23-3-5-24(6-4-23)16(20(30)31)9-17(25)26/h7-10H,2-6H2,1H3,(H,25,26)(H,28,29)(H,30,31)/b16-9+