2-[[(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)amino]methylene]propanedioic acid CAS Name: 2-[[(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)amino]methylene]malonic acid Formula: C16H13FN2O7 MolecularWeight: 364.282023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC=C(C(=O)O)C(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC=C(C(=O)O)C(=O)O)F)C(=O)O

InChI

InChI=1S/C16H13FN2O7/c1-2-19-6-9(16(25)26)13(20)7-3-10(17)11(4-12(7)19)18-5-8(14(21)22)15(23)24/h3-6,18H,2H2,1H3,(H,21,22)(H,23,24)(H,25,26)