[4-[(E)-2-pyridin-2-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-2-(2-pyridyl)vinyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C21H15NO4 MolecularWeight: 345.3481

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C=CC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C21H15NO4/c23-21(16-7-11-19-20(13-16)25-14-24-19)26-18-9-5-15(6-10-18)4-8-17-3-1-2-12-22-17/h1-13H,14H2/b8-4+