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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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