6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxy-1,1-dimethyl-ethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-2-methylpropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxy-1,1-dimethyl-ethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19ClFNO4 MolecularWeight: 403.831263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

Isomeric SMILES

CC(C)(CO)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)F)C(=O)O

InChI

InChI=1S/C21H19ClFNO4/c1-21(2,11-25)24-10-15(20(27)28)19(26)14-9-12(6-7-17(14)24)8-13-4-3-5-16(22)18(13)23/h3-7,9-10,25H,8,11H2,1-2H3,(H,27,28)