(1-azanyl-1-oxidanylidene-propan-2-yl) 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3,5-bis(trifluoromethyl)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C12H9F6NO3 MolecularWeight: 329.195179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H9F6NO3/c1-5(9(19)20)22-10(21)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-5H,1H3,(H2,19,20)