4,5-diethyl-3-fluoranyl-2-(fluoranylcarbamoyl)benzoic acid

Systemtic Name: 4,5-diethyl-3-fluoranyl-2-(fluoranylcarbamoyl)benzoic acid Openeye Name: 4,5-diethyl-3-fluoro-2-(fluorocarbamoyl)benzoic acid CAS Name: 4,5-diethyl-3-fluoro-2-[(fluoroamino)-oxomethyl]benzoic acid IUPAC Name: 4,5-diethyl-3-fluoro-2-(fluorocarbamoyl)benzoic acid Traditional Name: 4,5-diethyl-3-fluoro-2-(fluorocarbamoyl)benzoic acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(=O)O)C(=O)NF)F)CC

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C(=O)O)C(=O)NF)F)CC

InChI

InChI=1S/C12H13F2NO3/c1-3-6-5-8(12(17)18)9(11(16)15-14)10(13)7(6)4-2/h5H,3-4H2,1-2H3,(H,15,16)(H,17,18)