3-(3-oxidanylidenebutanoyloxy)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: 3-(3-oxidanylidenebutanoyloxy)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: 3-(3-oxobutanoyloxy)-2-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: 3-(1,3-dioxobutoxy)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoate IUPAC Name: 3-(3-oxobutanoyloxy)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: 3-acetoacetyloxy-2-[(2,2,2-trifluoroacetyl)amino]propionate Formula: C9H9F3NO6- MolecularWeight: 284.16607

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC(C(=O)[O-])NC(=O)C(F)(F)F

Isomeric SMILES

CC(=O)CC(=O)OCC(C(=O)[O-])NC(=O)C(F)(F)F

InChI

InChI=1S/C9H10F3NO6/c1-4(14)2-6(15)19-3-5(7(16)17)13-8(18)9(10,11)12/h5H,2-3H2,1H3,(H,13,18)(H,16,17)/p-1