2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrazole

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)tetrazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)tetrazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)tetrazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)tetrazole Formula: C18H17BrN4O5 MolecularWeight: 449.25538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H17BrN4O5/c1-24-15-4-10(5-16(25-2)17(15)26-3)18-20-22-23(21-18)8-11-6-13-14(7-12(11)19)28-9-27-13/h4-7H,8-9H2,1-3H3