2,2-dimethyl-3-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Openeye Name: 2,2-dimethyl-3-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid CAS Name: 2,2-dimethyl-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: 2,2-dimethyl-3-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Traditional Name: 2,2-dimethyl-3-[(4-nitrobenzyl)oxycarbonylamino]propionic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O6/c1-13(2,11(16)17)8-14-12(18)21-7-9-3-5-10(6-4-9)15(19)20/h3-6H,7-8H2,1-2H3,(H,14,18)(H,16,17)