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

Systemtic Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-2-(4-pyridyl)vinyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-2-(4-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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO4/c23-21(17-5-8-19-20(13-17)25-14-24-19)26-18-6-3-15(4-7-18)1-2-16-9-11-22-12-10-16/h1-13H,14H2/b2-1+