[4-(4-cyanophenyl)phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H13NO4 MolecularWeight: 343.33222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13NO4/c22-12-14-1-3-15(4-2-14)16-5-8-18(9-6-16)26-21(23)17-7-10-19-20(11-17)25-13-24-19/h1-11H,13H2