2-(1,3-benzodioxol-5-ylmethyl)-5-(2-bromanyl-5-methoxy-phenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(2-bromanyl-5-methoxy-phenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(2-bromo-5-methoxy-phenyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(2-bromo-5-methoxy-phenyl)-5-piperonyl-1,3,4-oxadiazole Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13BrN2O4/c1-21-11-3-4-13(18)12(8-11)17-20-19-16(24-17)7-10-2-5-14-15(6-10)23-9-22-14/h2-6,8H,7,9H2,1H3