2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-(2-furylmethyl)ammonio]acetate CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-(2-furanylmethyl)ammonio]acetate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-(furan-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-(2-furfuryl)ammonio]acetate Formula: C14H13ClFNO3 MolecularWeight: 297.709323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C[NH+](CC2=CC=CO2)CC(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C[NH+](CC2=CC=CO2)CC(=O)[O-])F

InChI

InChI=1S/C14H13ClFNO3/c15-12-4-1-5-13(16)11(12)8-17(9-14(18)19)7-10-3-2-6-20-10/h1-6H,7-9H2,(H,18,19)