pyridin-3-yl 2-[2,2,2-tris(fluoranyl)ethanoylamino]pent-4-ynoate

Systemtic Name: pyridin-3-yl 2-[2,2,2-tris(fluoranyl)ethanoylamino]pent-4-ynoate Openeye Name: 3-pyridyl 2-[(2,2,2-trifluoroacetyl)amino]pent-4-ynoate CAS Name: 2-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-pentynoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-[(2,2,2-trifluoroacetyl)amino]pent-4-ynoate Traditional Name: 2-[(2,2,2-trifluoroacetyl)amino]pent-4-ynoic acid 3-pyridyl ester Formula: C12H9F3N2O3 MolecularWeight: 286.20667

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)OC1=CN=CC=C1)NC(=O)C(F)(F)F

Isomeric SMILES

C#CCC(C(=O)OC1=CN=CC=C1)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3/c1-2-4-9(17-11(19)12(13,14)15)10(18)20-8-5-3-6-16-7-8/h1,3,5-7,9H,4H2,(H,17,19)