3-(4-methyl-2-nitro-phenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-methyl-2-nitro-phenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-methyl-2-nitro-phenoxy)propanoic acid CAS Name: 3-(4-methyl-2-nitrophenoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methyl-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-methyl-2-nitro-phenoxy)propionic acid Formula: C15H20N2O7 MolecularWeight: 340.3285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O7/c1-9-5-6-12(11(7-9)17(21)22)23-8-10(13(18)19)16-14(20)24-15(2,3)4/h5-7,10H,8H2,1-4H3,(H,16,20)(H,18,19)