4-bromanyl-4,5-dimethyl-2-(phenylcarbonyl)pyrazol-3-one

Systemtic Name: 4-bromanyl-4,5-dimethyl-2-(phenylcarbonyl)pyrazol-3-one Openeye Name: 2-benzoyl-4-bromo-4,5-dimethyl-pyrazol-3-one CAS Name: 2-benzoyl-4-bromo-4,5-dimethyl-3-pyrazolone IUPAC Name: 2-benzoyl-4-bromo-4,5-dimethylpyrazol-3-one Traditional Name: 2-benzoyl-4-bromo-4,5-dimethyl-2-pyrazolin-3-one Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C)Br)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1(C)Br)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H11BrN2O2/c1-8-12(2,13)11(17)15(14-8)10(16)9-6-4-3-5-7-9/h3-7H,1-2H3