[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H11BrN2O5 MolecularWeight: 403.18364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H11BrN2O5/c18-12-4-1-10(2-5-12)16-20-19-15(25-16)8-22-17(21)11-3-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2