[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H13F6NO4 MolecularWeight: 409.279839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H13F6NO4/c1-9(14(25)24-8-13-3-2-4-27-13)28-15(26)10-5-11(16(18,19)20)7-12(6-10)17(21,22)23/h2-7,9H,8H2,1H3,(H,24,25)