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

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-chloranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-7-chloro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-benzyl)-7-chloro-4-keto-quinoline-3-carboxylic acid Formula: C17H10BrClFNO3 MolecularWeight: 410.621603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N(C=C(C2=O)C(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC2=C(C=C1Cl)N(C=C(C2=O)C(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H10BrClFNO3/c18-10-2-1-9(14(20)5-10)7-21-8-13(17(23)24)16(22)12-4-3-11(19)6-15(12)21/h1-6,8H,7H2,(H,23,24)