3-(4-bromanyl-2,5-dimethyl-phenyl)-4,4-dimethyl-1H-pyrazol-5-one

Systemtic Name: 3-(4-bromanyl-2,5-dimethyl-phenyl)-4,4-dimethyl-1H-pyrazol-5-one Openeye Name: 3-(4-bromo-2,5-dimethyl-phenyl)-4,4-dimethyl-1H-pyrazol-5-one CAS Name: 3-(4-bromo-2,5-dimethylphenyl)-4,4-dimethyl-1H-pyrazol-5-one IUPAC Name: 3-(4-bromo-2,5-dimethylphenyl)-4,4-dimethyl-1H-pyrazol-5-one Traditional Name: 5-(4-bromo-2,5-dimethyl-phenyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C13H15BrN2O MolecularWeight: 295.175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NNC(=O)C2(C)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1C2=NNC(=O)C2(C)C)C)Br

InChI

InChI=1S/C13H15BrN2O/c1-7-6-10(14)8(2)5-9(7)11-13(3,4)12(17)16-15-11/h5-6H,1-4H3,(H,16,17)