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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-ethoxy-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-7-ethoxy-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-7-ethoxy-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-7-ethoxy-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19ClFNO5 MolecularWeight: 419.830663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C21H19ClFNO5/c1-2-29-18-10-17-14(20(26)15(21(27)28)11-24(17)6-7-25)9-13(18)8-12-4-3-5-16(22)19(12)23/h3-5,9-11,25H,2,6-8H2,1H3,(H,27,28)