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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)methyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 2-[(3-chloro-4-methyl-phenyl)methyl]-4-methyl-1H-pyrazol-3-one CAS Name: 2-[(3-chloro-4-methylphenyl)methyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 2-[(3-chloro-4-methylphenyl)methyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 2-(3-chloro-4-methyl-benzyl)-4-methyl-3-pyrazolin-3-one Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=O)C(=CN2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=O)C(=CN2)C)Cl

InChI

InChI=1S/C12H13ClN2O/c1-8-3-4-10(5-11(8)13)7-15-12(16)9(2)6-14-15/h3-6,14H,7H2,1-2H3