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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-methoxy-4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C21H16N2O7 MolecularWeight: 408.36094

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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=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C21H16N2O7/c1-26-18-9-13(4-6-16(18)30-21(25)17-3-2-8-27-17)11-22-23-20(24)14-5-7-15-19(10-14)29-12-28-15/h2-11H,12H2,1H3,(H,23,24)/b22-11+