2-[(E)-6-cyanohex-2-enyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(E)-6-cyanohex-2-enyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-[(E)-6-cyanohex-2-enyl]-3-oxo-cyclopentanecarboxylic acid CAS Name: 2-[(E)-6-cyanohex-2-enyl]-3-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(E)-6-cyanohex-2-enyl]-3-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[(E)-6-cyanohex-2-enyl]-3-keto-cyclopentanecarboxylic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C(=O)O)CC=CCCCC#N

Isomeric SMILES

C1CC(=O)C(C1C(=O)O)C/C=C/CCCC#N

InChI

InChI=1S/C13H17NO3/c14-9-5-3-1-2-4-6-10-11(13(16)17)7-8-12(10)15/h2,4,10-11H,1,3,5-8H2,(H,16,17)/b4-2+