2-(3-acetyloxy-5-ethyl-4-nitro-phenyl)ethanoic acid

Systemtic Name: 2-(3-acetyloxy-5-ethyl-4-nitro-phenyl)ethanoic acid Openeye Name: 2-(3-acetoxy-5-ethyl-4-nitro-phenyl)acetic acid CAS Name: 2-(3-acetyloxy-5-ethyl-4-nitrophenyl)acetic acid IUPAC Name: 2-(3-acetyloxy-5-ethyl-4-nitrophenyl)acetic acid Traditional Name: 2-(3-acetoxy-5-ethyl-4-nitro-phenyl)acetic acid Formula: C12H13NO6 MolecularWeight: 267.23472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CC(=O)O)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC(=C1)CC(=O)O)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-3-9-4-8(6-11(15)16)5-10(19-7(2)14)12(9)13(17)18/h4-5H,3,6H2,1-2H3,(H,15,16)