1-[(4-cyanophenyl)methyl]-2-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(4-cyanophenyl)methyl]-2-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 1-[(4-cyanophenyl)methyl]-2-oxo-cyclopentanecarboxylic acid CAS Name: 1-[(4-cyanophenyl)methyl]-2-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(4-cyanophenyl)methyl]-2-oxocyclopentane-1-carboxylic acid Traditional Name: 1-(4-cyanobenzyl)-2-keto-cyclopentanecarboxylic acid Formula: C14H13NO3 MolecularWeight: 243.25792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1)(CC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1CC(=O)C(C1)(CC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C14H13NO3/c15-9-11-5-3-10(4-6-11)8-14(13(17)18)7-1-2-12(14)16/h3-6H,1-2,7-8H2,(H,17,18)