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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(4-prop-2-enoxyphenyl)-1,2,3,4-tetrazole Openeye Name: 5-(4-allyloxyphenyl)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]tetrazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-prop-2-enoxyphenyl)tetrazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-prop-2-enoxyphenyl)tetrazole Traditional Name: 5-(4-allyloxyphenyl)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]tetrazole Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H15BrN4O3/c1-2-7-24-14-5-3-12(4-6-14)18-20-22-23(21-18)10-13-8-16-17(9-15(13)19)26-11-25-16/h2-6,8-9H,1,7,10-11H2