[1-(4-cyanophenyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] 2,2-bis(chloranyl)ethanoate

Systemtic Name: [1-(4-cyanophenyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] 2,2-bis(chloranyl)ethanoate Openeye Name: [1-(4-cyanophenyl)-4-oxo-cyclohexa-2,5-dien-1-yl] 2,2-dichloroacetate CAS Name: 2,2-dichloroacetic acid [1-(4-cyanophenyl)-4-oxo-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(4-cyanophenyl)-4-oxocyclohexa-2,5-dien-1-yl] 2,2-dichloroacetate Traditional Name: 2,2-dichloroacetic acid [1-(4-cyanophenyl)-4-keto-cyclohexa-2,5-dien-1-yl] ester Formula: C15H9Cl2NO3 MolecularWeight: 322.14286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2(C=CC(=O)C=C2)OC(=O)C(Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C2(C=CC(=O)C=C2)OC(=O)C(Cl)Cl

InChI

InChI=1S/C15H9Cl2NO3/c16-13(17)14(20)21-15(7-5-12(19)6-8-15)11-3-1-10(9-18)2-4-11/h1-8,13H