[4-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazono)methyl]-2-ethoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-(2,3-dihydro-1,4-benzodioxin-6-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)C2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=C(C=C4)Br

InChI

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