5-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(3-chloro-4-fluoro-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(3-chloro-4-fluoroanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-chloro-4-fluoroanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(3-chloro-4-fluoro-anilino)methyl]-2-furoic acid Formula: C12H9ClFNO3 MolecularWeight: 269.656163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CC=C(O2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CC=C(O2)C(=O)O)Cl)F

InChI

InChI=1S/C12H9ClFNO3/c13-9-5-7(1-3-10(9)14)15-6-8-2-4-11(18-8)12(16)17/h1-5,15H,6H2,(H,16,17)