[2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-chloranylbenzoate

Systemtic Name: [2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-chloranylbenzoate Openeye Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-4-bromo-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4-bromophenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-bromo-2-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C22H14BrClN2O5 MolecularWeight: 501.71396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14BrClN2O5/c23-16-4-8-18(31-22(28)13-1-5-17(24)6-2-13)15(9-16)11-25-26-21(27)14-3-7-19-20(10-14)30-12-29-19/h1-11H,12H2,(H,26,27)/b25-11+