(2S,3R)-2-[[2-nitro-3-oxidanyl-4-(trifluoromethyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[2-nitro-3-oxidanyl-4-(trifluoromethyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-2-nitro-4-(trifluoromethyl)benzoyl]amino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[[3-hydroxy-2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-2-nitro-4-(trifluoromethyl)benzoyl]amino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-2-nitro-4-(trifluoromethyl)benzoyl]amino]butyric acid Formula: C12H11F3N2O7 MolecularWeight: 352.22015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=C(C(=C(C=C1)C(F)(F)F)O)[N+](=O)[O-])O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)C1=C(C(=C(C=C1)C(F)(F)F)O)[N+](=O)[O-])O

InChI

InChI=1S/C12H11F3N2O7/c1-4(18)7(11(21)22)16-10(20)5-2-3-6(12(13,14)15)9(19)8(5)17(23)24/h2-4,7,18-19H,1H3,(H,16,20)(H,21,22)/t4-,7+/m1/s1