4-(2-chloranyl-3-ethoxy-4-methylsulfonyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-(2-chloranyl-3-ethoxy-4-methylsulfonyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(2-chloro-3-ethoxy-4-methylsulfonyl-benzoyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[(2-chloro-3-ethoxy-4-methylsulfonylphenyl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-3-ethoxy-4-methylsulfonylbenzoyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-(2-chloro-3-ethoxy-4-mesyl-benzoyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C15H17ClN2O5S MolecularWeight: 372.82388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1Cl)C(=O)C2=C(NN(C2=O)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1Cl)C(=O)C2=C(NN(C2=O)C)C)S(=O)(=O)C

InChI

InChI=1S/C15H17ClN2O5S/c1-5-23-14-10(24(4,21)22)7-6-9(12(14)16)13(19)11-8(2)17-18(3)15(11)20/h6-7,17H,5H2,1-4H3