[3-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]phenyl] ester Formula: C21H14BrN3O5 MolecularWeight: 468.25696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC(=C3)C=NNC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O5/c22-16-7-15(10-23-11-16)20(26)25-24-9-13-2-1-3-17(6-13)30-21(27)14-4-5-18-19(8-14)29-12-28-18/h1-11H,12H2,(H,25,26)/b24-9+