[4-bromanyl-2-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-bromanyl-2-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate Openeye Name: [4-bromo-2-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazono)methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-bromo-2-[(E)-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-bromo-2-[(E)-(2,3-dihydro-1,4-benzodioxin-3-carbonylhydrazono)methyl]phenyl] ester Formula: C21H15BrN2O6 MolecularWeight: 471.2576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=CO4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CO4

InChI

InChI=1S/C21H15BrN2O6/c22-14-7-8-15(30-21(26)18-6-3-9-27-18)13(10-14)11-23-24-20(25)19-12-28-16-4-1-2-5-17(16)29-19/h1-11,19H,12H2,(H,24,25)/b23-11+