(phenylmethyl) 5-azido-2-methyl-4-oxidanylidene-3-(trifluoromethyl)pentanoate

Systemtic Name: (phenylmethyl) 5-azido-2-methyl-4-oxidanylidene-3-(trifluoromethyl)pentanoate Openeye Name: benzyl 5-azido-2-methyl-4-oxo-3-(trifluoromethyl)pentanoate CAS Name: 5-azido-2-methyl-4-oxo-3-(trifluoromethyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-azido-2-methyl-4-oxo-3-(trifluoromethyl)pentanoate Traditional Name: 5-azido-4-keto-2-methyl-3-(trifluoromethyl)valeric acid benzyl ester Formula: C14H14F3N3O3 MolecularWeight: 329.27447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)CN=[N+]=[N-])C(F)(F)F)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(C(=O)CN=[N+]=[N-])C(F)(F)F)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H14F3N3O3/c1-9(12(14(15,16)17)11(21)7-19-20-18)13(22)23-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3