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

Systemtic Name: 4-[2-chloranyl-3-(dimethoxymethyl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(dimethoxymethyl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(dimethoxymethyl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(dimethoxymethyl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(dimethoxymethyl)-4-mesyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C15H17ClN2O6S MolecularWeight: 388.82328

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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)C(OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O6S/c1-18-14(20)9(7-17-18)13(19)8-5-6-10(25(4,21)22)11(12(8)16)15(23-2)24-3/h5-7,15,17H,1-4H3