7-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 7-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 7-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 7-(1,3-diethoxy-1,3-dioxopropan-2-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 7-(1,3-diethoxy-1,3-dioxopropan-2-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 7-(1-carbethoxy-2-ethoxy-2-keto-ethyl)-6-fluoro-4-keto-1H-quinoline-3-carboxylic acid Formula: C17H16FNO7 MolecularWeight: 365.309843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C2C(=C1)NC=C(C2=O)C(=O)O)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C2C(=C1)NC=C(C2=O)C(=O)O)F)C(=O)OCC

InChI

InChI=1S/C17H16FNO7/c1-3-25-16(23)13(17(24)26-4-2)8-6-12-9(5-11(8)18)14(20)10(7-19-12)15(21)22/h5-7,13H,3-4H2,1-2H3,(H,19,20)(H,21,22)