[4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)C=CC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H18N2O5/c1-15(26)25-22-12-17(10-11-24-22)3-2-16-4-7-19(8-5-16)30-23(27)18-6-9-20-21(13-18)29-14-28-20/h2-13H,14H2,1H3,(H,24,25,26)/b3-2+