phenyl 4-cyano-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: phenyl 4-cyano-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: phenyl 4-cyano-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-cyano-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid phenyl ester IUPAC Name: phenyl 4-cyano-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-cyano-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid phenyl ester Formula: C20H15NO2 MolecularWeight: 301.3386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC(C=C2)C(=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC(C=C2)C(=O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H15NO2/c21-15-20(17-7-3-1-4-8-17)13-11-16(12-14-20)19(22)23-18-9-5-2-6-10-18/h1-14,16H