[4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O6/c1-29-19-6-13(9-25-26-21(27)15-7-16(23)11-24-10-15)2-4-18(19)32-22(28)14-3-5-17-20(8-14)31-12-30-17/h2-11H,12H2,1H3,(H,26,27)/b25-9+