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

Systemtic Name: 8-acetamido-6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-acetamido-6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-acetamido-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-acetamido-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-acetamido-6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H18ClFN2O5 MolecularWeight: 432.829423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2CCO)C(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2CCO)C(=O)O

InChI

InChI=1S/C21H18ClFN2O5/c1-11(27)24-17-9-12(7-13-3-2-4-16(22)18(13)23)8-14-19(17)25(5-6-26)10-15(20(14)28)21(29)30/h2-4,8-10,26H,5-7H2,1H3,(H,24,27)(H,29,30)