2-[[2-[(2-methylpropan-2-yl)oxy]-1-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-ethoxy]amino]propanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-1-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-ethoxy]amino]propanoic acid Openeye Name: 2-[[2-tert-butoxy-1-(2-hydroxy-5-nitro-phenyl)-2-oxo-ethoxy]amino]propanoic acid CAS Name: 2-[[1-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]amino]propanoic acid IUPAC Name: 2-[[1-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]amino]propanoic acid Traditional Name: 2-[[2-tert-butoxy-1-(2-hydroxy-5-nitro-phenyl)-2-keto-ethoxy]amino]propionic acid Formula: C15H20N2O8 MolecularWeight: 356.3279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O8/c1-8(13(19)20)16-25-12(14(21)24-15(2,3)4)10-7-9(17(22)23)5-6-11(10)18/h5-8,12,16,18H,1-4H3,(H,19,20)