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

Systemtic Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C22H17NO5 MolecularWeight: 375.37408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=NC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=NC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H17NO5/c1-25-20-12-16(3-2-15-8-10-23-11-9-15)4-6-19(20)28-22(24)17-5-7-18-21(13-17)27-14-26-18/h2-13H,14H2,1H3/b3-2+