2-acetamido-3-(4-acetyloxy-3-nitro-phenyl)propanoic acid

Systemtic Name: 2-acetamido-3-(4-acetyloxy-3-nitro-phenyl)propanoic acid Openeye Name: 2-acetamido-3-(4-acetoxy-3-nitro-phenyl)propanoic acid CAS Name: 2-acetamido-3-(4-acetyloxy-3-nitrophenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-acetyloxy-3-nitrophenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-acetoxy-3-nitro-phenyl)propionic acid Formula: C13H14N2O7 MolecularWeight: 310.25946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c1-7(16)14-10(13(18)19)5-9-3-4-12(22-8(2)17)11(6-9)15(20)21/h3-4,6,10H,5H2,1-2H3,(H,14,16)(H,18,19)