8-azanyl-6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-azanyl-6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-amino-6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-amino-6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C19H16ClFN2O4 MolecularWeight: 390.792743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CC2=CC(=C3C(=C2)C(=O)C(=CN3CCO)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CC2=CC(=C3C(=C2)C(=O)C(=CN3CCO)C(=O)O)N

InChI

InChI=1S/C19H16ClFN2O4/c20-14-3-1-2-11(16(14)21)6-10-7-12-17(15(22)8-10)23(4-5-24)9-13(18(12)25)19(26)27/h1-3,7-9,24H,4-6,22H2,(H,26,27)