methyl (2R,3R)-2-azanyl-3-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R,3R)-2-azanyl-3-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]-3-oxidanyl-propanoate Openeye Name: methyl (2R,3R)-2-amino-3-hydroxy-3-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: (2R,3R)-2-amino-3-hydroxy-3-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-amino-3-hydroxy-3-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: (2R,3R)-2-amino-3-hydroxy-3-(3-nitro-4-triflyloxy-phenyl)propionic acid methyl ester Formula: C11H11F3N2O8S MolecularWeight: 388.27385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H]([C@@H](C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])O)N

InChI

InChI=1S/C11H11F3N2O8S/c1-23-10(18)8(15)9(17)5-2-3-7(6(4-5)16(19)20)24-25(21,22)11(12,13)14/h2-4,8-9,17H,15H2,1H3/t8-,9-/m1/s1