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

Systemtic Name: [4-[(E)-(pyridin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-(pyridine-2-carbonylhydrazono)methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[oxo(2-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-(picolinoylhydrazono)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=C(C=C3)C=NNC(=O)C4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=N/NC(=O)C4=CC=CC=N4

InChI

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