2-acetyloxy-6-(cyanomethyl)benzoic acid

Systemtic Name: 2-acetyloxy-6-(cyanomethyl)benzoic acid Openeye Name: 2-acetoxy-6-(cyanomethyl)benzoic acid CAS Name: 2-acetyloxy-6-(cyanomethyl)benzoic acid IUPAC Name: 2-acetyloxy-6-(cyanomethyl)benzoic acid Traditional Name: 2-acetoxy-6-(cyanomethyl)benzoic acid Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1C(=O)O)CC#N

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1C(=O)O)CC#N

InChI

InChI=1S/C11H9NO4/c1-7(13)16-9-4-2-3-8(5-6-12)10(9)11(14)15/h2-4H,5H2,1H3,(H,14,15)