3-(cyanomethyl)-2-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 3-(cyanomethyl)-2-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 3-(cyanomethyl)-2-oxo-cyclopentanecarboxylic acid CAS Name: 3-(cyanomethyl)-2-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 3-(cyanomethyl)-2-oxocyclopentane-1-carboxylic acid Traditional Name: 3-(cyanomethyl)-2-keto-cyclopentanecarboxylic acid Formula: C8H9NO3 MolecularWeight: 167.16196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1CC#N)C(=O)O

Isomeric SMILES

C1CC(C(=O)C1CC#N)C(=O)O

InChI

InChI=1S/C8H9NO3/c9-4-3-5-1-2-6(7(5)10)8(11)12/h5-6H,1-3H2,(H,11,12)