(4-cyanophenyl) 9H-xanthene-9-carboxylate

Systemtic Name: (4-cyanophenyl) 9H-xanthene-9-carboxylate Openeye Name: (4-cyanophenyl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (4-cyanophenyl) ester Formula: C21H13NO3 MolecularWeight: 327.33282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13NO3/c22-13-14-9-11-15(12-10-14)24-21(23)20-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)20/h1-12,20H