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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyphenyl)-1,2,3,4-tetrazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyphenyl)tetrazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyphenyl)tetrazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyphenyl)tetrazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyphenyl)tetrazole Formula: C16H13BrN4O3 MolecularWeight: 389.20342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H13BrN4O3/c1-22-12-4-2-3-10(5-12)16-18-20-21(19-16)8-11-6-14-15(7-13(11)17)24-9-23-14/h2-7H,8-9H2,1H3