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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=O)C(=C(N2)Br)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=O)C(=C(N2)Br)C)Cl

InChI

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