[4-(cyanomethyl)phenyl] 9H-xanthene-9-carboxylate

Systemtic Name: [4-(cyanomethyl)phenyl] 9H-xanthene-9-carboxylate Openeye Name: [4-(cyanomethyl)phenyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [4-(cyanomethyl)phenyl] ester Formula: C22H15NO3 MolecularWeight: 341.3594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15NO3/c23-14-13-15-9-11-16(12-10-15)25-22(24)21-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)21/h1-12,21H,13H2