3-(2-methoxy-3,5-dinitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-methoxy-3,5-dinitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-methoxy-3,5-dinitro-phenyl)propanoic acid CAS Name: 3-(2-methoxy-3,5-dinitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-methoxy-3,5-dinitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-methoxy-3,5-dinitro-phenyl)propionic acid Formula: C15H19N3O9 MolecularWeight: 385.32606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1OC)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1OC)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H19N3O9/c1-15(2,3)27-14(21)16-10(13(19)20)6-8-5-9(17(22)23)7-11(18(24)25)12(8)26-4/h5,7,10H,6H2,1-4H3,(H,16,21)(H,19,20)