methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-methyl-propan-2-yl]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-methyl-propan-2-yl]carbamoylamino]benzoate Openeye Name: methyl 2-[[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]carbamoylamino]benzoate CAS Name: 2-[[[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoylamino]benzoate Traditional Name: 2-[[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]carbamoylamino]benzoic acid methyl ester Formula: C13H12F6N2O3 MolecularWeight: 358.236399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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