6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-7,8-dimethoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-7,8-dimethoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-7,8-dimethoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-7,8-dimethoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-7,8-dimethoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-7,8-dimethoxy-quinoline-3-carboxylic acid Formula: C21H19ClFNO6 MolecularWeight: 435.830063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

COC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C21H19ClFNO6/c1-29-19-12(8-11-4-3-5-15(22)16(11)23)9-13-17(20(19)30-2)24(6-7-25)10-14(18(13)26)21(27)28/h3-5,9-10,25H,6-8H2,1-2H3,(H,27,28)