[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-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 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H13BrN2O5/c19-13-4-1-11(2-5-13)17-21-20-16(26-17)10-25-18(22)12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9H,7-8,10H2