4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid CAS Name: 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)-2,6-dimethylpyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)-2,6-dimethyl-dinicotinic acid Formula: C21H17FN2O7 MolecularWeight: 428.367283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=C(C(=NC(=C3C(=O)O)C)C)C(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=C(C(=NC(=C3C(=O)O)C)C)C(=O)O)F)C(=O)O

InChI

InChI=1S/C21H17FN2O7/c1-4-24-7-12(19(26)27)18(25)11-5-13(22)10(6-14(11)24)17-15(20(28)29)8(2)23-9(3)16(17)21(30)31/h5-7H,4H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)