2-[6-methyl-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]-4-nitro-benzoate

Systemtic Name: 2-[6-methyl-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]-4-nitro-benzoate Openeye Name: 2-[6-methyl-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]-4-nitro-benzoate CAS Name: 2-[6-methyl-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-oxanyl]-4-nitrobenzoate IUPAC Name: 2-[6-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]-4-nitrobenzoate Traditional Name: 2-[6-methyl-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]-4-nitro-benzoate Formula: C15H14F3N2O6- MolecularWeight: 375.27667

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(O1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-])NC(=O)C(F)(F)F

Isomeric SMILES

CC1C(CCC(O1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-])NC(=O)C(F)(F)F

InChI

InChI=1S/C15H15F3N2O6/c1-7-11(19-14(23)15(16,17)18)4-5-12(26-7)10-6-8(20(24)25)2-3-9(10)13(21)22/h2-3,6-7,11-12H,4-5H2,1H3,(H,19,23)(H,21,22)/p-1