2-(1-cyanocyclohexa-2,5-dien-1-yl)ethanoic acid

Systemtic Name: 2-(1-cyanocyclohexa-2,5-dien-1-yl)ethanoic acid Openeye Name: 2-(1-cyanocyclohexa-2,5-dien-1-yl)acetic acid CAS Name: 2-(1-cyano-1-cyclohexa-2,5-dienyl)acetic acid IUPAC Name: 2-(1-cyanocyclohexa-2,5-dien-1-yl)acetic acid Traditional Name: 2-(1-cyanocyclohexa-2,5-dien-1-yl)acetic acid Formula: C9H9NO2 MolecularWeight: 163.17326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1)(CC(=O)O)C#N

Isomeric SMILES

C1C=CC(C=C1)(CC(=O)O)C#N

InChI

InChI=1S/C9H9NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h2-5H,1,6H2,(H,11,12)