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

Systemtic Name: (3-cyanophenyl) 9H-xanthene-9-carboxylate Openeye Name: (3-cyanophenyl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (3-cyanophenyl) ester Formula: C21H13NO3 MolecularWeight: 327.33282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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