4-[(4R,5R,6S)-5-ethoxycarbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate

Systemtic Name: 4-[(4R,5R,6S)-5-ethoxycarbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Openeye Name: 4-[(4R,5R,6S)-5-ethoxycarbonyl-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[(4R,5R,6S)-5-ethoxycarbonyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate IUPAC Name: 4-[(4R,5R,6S)-5-ethoxycarbonyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[(4R,5R,6S)-5-carbethoxy-6-hydroxy-2-keto-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoate Formula: C15H14F3N2O6- MolecularWeight: 375.27667

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](NC(=O)N[C@]1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H15F3N2O6/c1-2-26-12(23)9-10(7-3-5-8(6-4-7)11(21)22)19-13(24)20-14(9,25)15(16,17)18/h3-6,9-10,25H,2H2,1H3,(H,21,22)(H2,19,20,24)/p-1/t9-,10-,14-/m0/s1