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

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic 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] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C23H17BrN2O6 MolecularWeight: 497.29488

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O6/c1-29-20-9-14(5-7-19(20)32-23(28)16-3-2-4-17(24)10-16)12-25-26-22(27)15-6-8-18-21(11-15)31-13-30-18/h2-12H,13H2,1H3,(H,26,27)/b25-12+