1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazole

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazole Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazole CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylpyrazole IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylpyrazole Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazole Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C13H13BrN2O2/c1-8-3-9(2)16(15-8)6-10-4-12-13(5-11(10)14)18-7-17-12/h3-5H,6-7H2,1-2H3