(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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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=CC=N4)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O4/c19-15-9-17-16(24-11-25-17)8-13(15)10-23-18(22)12-2-4-14(5-3-12)21-7-1-6-20-21/h1-9H,10-11H2