[(2S)-4-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [(2S)-4-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2S)-4-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-4-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2S)-4-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-4-[2,4-diketo-5-(trifluoromethyl)pyrimidin-1-yl]-1,3-dioxolan-2-yl]methyl ester Formula: C16H13F3N2O6 MolecularWeight: 386.27943

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=C(C(=O)NC3=O)C(F)(F)F

Isomeric SMILES

C1C(O[C@H](O1)COC(=O)C2=CC=CC=C2)N3C=C(C(=O)NC3=O)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O6/c17-16(18,19)10-6-21(15(24)20-13(10)22)11-7-25-12(27-11)8-26-14(23)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2,(H,20,22,24)/t11?,12-/m0/s1