[4-[(E)-[2-(furan-2-ylcarbonylamino)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-[2-(furan-2-ylcarbonylamino)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[2-[[2-furanyl(oxo)methyl]amino]-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[[2-(2-furoylamino)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H18BrN3O6 MolecularWeight: 500.29882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CNC(=O)C2=CC=CO2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CO2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrN3O6/c1-30-19-10-14(7-8-17(19)32-22(29)15-4-2-5-16(23)11-15)12-25-26-20(27)13-24-21(28)18-6-3-9-31-18/h2-12H,13H2,1H3,(H,24,28)(H,26,27)/b25-12+