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

Systemtic Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=NC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=NC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19NO5/c1-2-26-21-13-17(4-3-16-9-11-24-12-10-16)5-7-20(21)29-23(25)18-6-8-19-22(14-18)28-15-27-19/h3-14H,2,15H2,1H3/b4-3+