2-[(4-bromanyl-3-chloranyl-phenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 2-[(4-bromanyl-3-chloranyl-phenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one Openeye Name: 2-[(4-bromo-3-chloro-phenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one CAS Name: 2-[(4-bromo-3-chlorophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 2-[(4-bromo-3-chlorophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one Traditional Name: 2-(4-bromo-3-chloro-benzyl)-4,5-dimethyl-3-pyrazolin-3-one Formula: C12H12BrClN2O MolecularWeight: 315.59348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC(=C(C=C2)Br)Cl)C

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC(=C(C=C2)Br)Cl)C

InChI

InChI=1S/C12H12BrClN2O/c1-7-8(2)15-16(12(7)17)6-9-3-4-10(13)11(14)5-9/h3-5,15H,6H2,1-2H3