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

Systemtic Name: [2-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O5/c25-20(16-5-3-9-22-11-16)24-23-12-15-4-1-2-6-17(15)29-21(26)14-7-8-18-19(10-14)28-13-27-18/h1-12H,13H2,(H,24,25)/b23-12+