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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(E)-(piperonyloylhydrazono)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=CC3=C(C=C2)OCO3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=CN=CC=C4

InChI

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