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

Systemtic Name: [2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] benzoate Openeye Name: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-4-bromo-phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C22H15BrN2O5 MolecularWeight: 467.2689

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O5/c23-17-7-9-18(30-22(27)14-4-2-1-3-5-14)16(10-17)12-24-25-21(26)15-6-8-19-20(11-15)29-13-28-19/h1-12H,13H2,(H,25,26)/b24-12+