1-ethyl-6-fluoranyl-4-oxidanylidene-5-[1-(2-oxidanylidene-1,3-dioxol-4-yl)ethyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-5-[1-(2-oxidanylidene-1,3-dioxol-4-yl)ethyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-5-[1-(2-oxo-1,3-dioxol-4-yl)ethyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-5-[1-(2-oxo-1,3-dioxol-4-yl)ethyl]-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-5-[1-(2-oxo-1,3-dioxol-4-yl)ethyl]-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-5-[1-(2-keto-1,3-dioxol-4-yl)ethyl]-7-piperazino-quinoline-3-carboxylic acid Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=C(C=C21)N3CCNCC3)F)C(C)C4=COC(=O)O4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=C(C=C21)N3CCNCC3)F)C(C)C4=COC(=O)O4)C(=O)O

InChI

InChI=1S/C21H22FN3O6/c1-3-24-9-12(20(27)28)19(26)17-13(24)8-14(25-6-4-23-5-7-25)18(22)16(17)11(2)15-10-30-21(29)31-15/h8-11,23H,3-7H2,1-2H3,(H,27,28)