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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(4-bromanylpyrazol-1-yl)benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromopyrazol-1-yl)benzoate CAS Name: 4-(4-bromo-1-pyrazolyl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromopyrazol-1-yl)benzoate Traditional Name: 4-(4-bromopyrazol-1-yl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H12Br2N2O4 MolecularWeight: 480.10688

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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=C(C=N4)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H12Br2N2O4/c19-13-7-21-22(8-13)14-3-1-11(2-4-14)18(23)24-9-12-5-16-17(6-15(12)20)26-10-25-16/h1-8H,9-10H2