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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-4-keto-1H-quinoline-3-carboxylic acid Formula: C17H11ClFNO3 MolecularWeight: 331.725543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CC2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CC2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

InChI

InChI=1S/C17H11ClFNO3/c18-13-3-1-2-10(15(13)19)6-9-4-5-14-11(7-9)16(21)12(8-20-14)17(22)23/h1-5,7-8H,6H2,(H,20,21)(H,22,23)