6-[(5-bromanyl-2-chloranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-chloranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-chloro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(5-bromo-2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(5-bromo-2-chloro-benzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C19H15BrClNO4 MolecularWeight: 436.6837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC3=C(C=CC(=C3)Br)Cl)C(=O)C(=CN2CCO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CC3=C(C=CC(=C3)Br)Cl)C(=O)C(=CN2CCO)C(=O)O

InChI

InChI=1S/C19H15BrClNO4/c20-13-2-3-16(21)12(9-13)7-11-1-4-17-14(8-11)18(24)15(19(25)26)10-22(17)5-6-23/h1-4,8-10,23H,5-7H2,(H,25,26)