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

Systemtic Name: methyl (2S,3R)-2-[[2-nitro-3-oxidanyl-4-(trifluoromethyl)phenyl]carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl (2S,3R)-3-hydroxy-2-[[3-hydroxy-2-nitro-4-(trifluoromethyl)benzoyl]amino]butanoate CAS Name: (2S,3R)-3-hydroxy-2-[[[3-hydroxy-2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-2-[[3-hydroxy-2-nitro-4-(trifluoromethyl)benzoyl]amino]butanoate Traditional Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-2-nitro-4-(trifluoromethyl)benzoyl]amino]butyric acid methyl ester Formula: C13H13F3N2O7 MolecularWeight: 366.24673

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C13H13F3N2O7/c1-5(19)8(12(22)25-2)17-11(21)6-3-4-7(13(14,15)16)10(20)9(6)18(23)24/h3-5,8,19-20H,1-2H3,(H,17,21)/t5-,8+/m1/s1