[4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-ethoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-ethoxy-4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C24H19BrN2O6 MolecularWeight: 511.32146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H19BrN2O6/c1-2-30-21-11-15(3-9-20(21)33-24(29)16-4-7-18(25)8-5-16)13-26-27-23(28)17-6-10-19-22(12-17)32-14-31-19/h3-13H,2,14H2,1H3,(H,27,28)/b26-13+