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

Systemtic Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazono)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(2,3-dihydro-1,4-benzodioxin-6-carbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C24H19BrN2O6 MolecularWeight: 511.32146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H19BrN2O6/c1-30-21-11-15(5-7-20(21)33-24(29)17-3-2-4-18(25)12-17)14-26-27-23(28)16-6-8-19-22(13-16)32-10-9-31-19/h2-8,11-14H,9-10H2,1H3,(H,27,28)/b26-14+