(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H11BrN4O4 MolecularWeight: 403.18694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CC=C3N4C=NN=N4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CC=C3N4C=NN=N4)Br

InChI

InChI=1S/C16H11BrN4O4/c17-12-6-15-14(24-9-25-15)5-10(12)7-23-16(22)11-3-1-2-4-13(11)21-8-18-19-20-21/h1-6,8H,7,9H2