2-[[1,1,1-tris(fluoranyl)-2-(trifluoromethyl)butan-2-yl]carbamoylamino]benzoic acid

Systemtic Name: 2-[[1,1,1-tris(fluoranyl)-2-(trifluoromethyl)butan-2-yl]carbamoylamino]benzoic acid Openeye Name: 2-[1,1-bis(trifluoromethyl)propylcarbamoylamino]benzoic acid CAS Name: 2-[[oxo-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]amino]methyl]amino]benzoic acid IUPAC Name: 2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamoylamino]benzoic acid Traditional Name: 2-[1,1-bis(trifluoromethyl)propylcarbamoylamino]benzoic acid Formula: C13H12F6N2O3 MolecularWeight: 358.236399

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H12F6N2O3/c1-2-11(12(14,15)16,13(17,18)19)21-10(24)20-8-6-4-3-5-7(8)9(22)23/h3-6H,2H2,1H3,(H,22,23)(H2,20,21,24)