[4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(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=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

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