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

Systemtic Name: 4-[2-chloranyl-3-(methoxymethyl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(methoxymethyl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(methoxymethyl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(methoxymethyl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(methoxymethyl)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C14H15ClN2O5S MolecularWeight: 358.7973

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COC)Cl

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COC)Cl

InChI

InChI=1S/C14H15ClN2O5S/c1-17-14(19)9(6-16-17)13(18)8-4-5-11(23(3,20)21)10(7-22-2)12(8)15/h4-6,16H,7H2,1-3H3