[4-(4-cyanophenyl)phenyl] 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H15NO4 MolecularWeight: 369.3695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H15NO4/c24-14-15-5-7-16(8-6-15)17-9-11-19(12-10-17)27-23(26)21-13-18-3-1-2-4-20(18)22(25)28-21/h1-12,21H,13H2