2-(4-cyano-2-nitro-phenoxy)ethanoic acid

Systemtic Name: 2-(4-cyano-2-nitro-phenoxy)ethanoic acid Openeye Name: 2-(4-cyano-2-nitro-phenoxy)acetic acid CAS Name: 2-(4-cyano-2-nitrophenoxy)acetic acid IUPAC Name: 2-(4-cyano-2-nitrophenoxy)acetic acid Traditional Name: 2-(4-cyano-2-nitro-phenoxy)acetic acid Formula: C9H6N2O5 MolecularWeight: 222.15434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C9H6N2O5/c10-4-6-1-2-8(16-5-9(12)13)7(3-6)11(14)15/h1-3H,5H2,(H,12,13)