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

Systemtic Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazono)methyl]-2-ethoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-(2,3-dihydro-1,4-benzodioxin-3-carbonylhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C25H21BrN2O6 MolecularWeight: 525.34804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2COC3=CC=CC=C3O2)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2COC3=CC=CC=C3O2)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN2O6/c1-2-31-22-13-16(7-12-21(22)34-25(30)17-8-10-18(26)11-9-17)14-27-28-24(29)23-15-32-19-5-3-4-6-20(19)33-23/h3-14,23H,2,15H2,1H3,(H,28,29)/b27-14+