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

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-methoxy-4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-methoxy-4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O6/c1-28-19-9-14(11-24-25-21(26)16-3-2-8-23-12-16)4-6-18(19)31-22(27)15-5-7-17-20(10-15)30-13-29-17/h2-12H,13H2,1H3,(H,25,26)/b24-11+