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

Systemtic Name: 2-[(4R,5S,6S)-5-ethoxycarbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4R,5S,6S)-5-ethoxycarbonyl-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4R,5S,6S)-5-ethoxycarbonyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4R,5S,6S)-5-ethoxycarbonyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]-4-nitrophenolate Traditional Name: 2-[(4R,5S,6S)-5-carbethoxy-6-hydroxy-2-keto-6-(trifluoromethyl)hexahydropyrimidin-4-yl]-4-nitro-phenolate Formula: C14H13F3N3O7- MolecularWeight: 392.26413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O7/c1-2-27-11(22)9-10(7-5-6(20(25)26)3-4-8(7)21)18-12(23)19-13(9,24)14(15,16)17/h3-5,9-10,21,24H,2H2,1H3,(H2,18,19,23)/p-1/t9-,10+,13+/m1/s1