3-[4-bromanyl-2-nitro-6-(trifluoromethyl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-bromanyl-2-nitro-6-(trifluoromethyl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]-2-(tert-butoxycarbonylamino)propionic acid Formula: C15H16BrF3N2O7 MolecularWeight: 473.19595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COC1=C(C=C(C=C1C(F)(F)F)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(COC1=C(C=C(C=C1C(F)(F)F)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16BrF3N2O7/c1-14(2,3)28-13(24)20-9(12(22)23)6-27-11-8(15(17,18)19)4-7(16)5-10(11)21(25)26/h4-5,9H,6H2,1-3H3,(H,20,24)(H,22,23)