3-(2-acetamido-5-nitro-phenoxy)propanoic acid

Systemtic Name: 3-(2-acetamido-5-nitro-phenoxy)propanoic acid Openeye Name: 3-(2-acetamido-5-nitro-phenoxy)propanoic acid CAS Name: 3-(2-acetamido-5-nitrophenoxy)propanoic acid IUPAC Name: 3-(2-acetamido-5-nitrophenoxy)propanoic acid Traditional Name: 3-(2-acetamido-5-nitro-phenoxy)propionic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OCCC(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OCCC(=O)O

InChI

InChI=1S/C11H12N2O6/c1-7(14)12-9-3-2-8(13(17)18)6-10(9)19-5-4-11(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16)