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

Systemtic Name: 4-chloranyl-2,5-dimethyl-4-(phenylcarbonyl)pyrazol-3-one Openeye Name: 4-benzoyl-4-chloro-2,5-dimethyl-pyrazol-3-one CAS Name: 4-benzoyl-4-chloro-2,5-dimethyl-3-pyrazolone IUPAC Name: 4-benzoyl-4-chloro-2,5-dimethylpyrazol-3-one Traditional Name: 4-benzoyl-4-chloro-2,5-dimethyl-2-pyrazolin-3-one Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O2/c1-8-12(13,11(17)15(2)14-8)10(16)9-6-4-3-5-7-9/h3-7H,1-2H3