(2S)-4-methyl-2-[(4-nitrophenoxy)carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(4-nitrophenoxy)carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(4-nitrophenoxy)carbonylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(4-nitrophenoxy)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(4-nitrophenoxy)carbonylamino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[(4-nitrophenoxy)carbonylamino]valeric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-8(2)7-11(12(16)17)14-13(18)21-10-5-3-9(4-6-10)15(19)20/h3-6,8,11H,7H2,1-2H3,(H,14,18)(H,16,17)/t11-/m0/s1