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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Br

InChI

InChI=1S/C17H12BrN3O4/c18-14-6-16-15(24-10-25-16)5-12(14)7-23-17(22)11-1-3-13(4-2-11)21-9-19-8-20-21/h1-6,8-9H,7,10H2