ethyl 2-chloranyl-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzoate

Systemtic Name: ethyl 2-chloranyl-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzoate Openeye Name: ethyl 2-chloro-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[(2-methyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylbenzoate Traditional Name: 2-chloro-3-(5-keto-1-methyl-3-pyrazoline-4-carbonyl)-6-mesyl-benzoic acid ethyl ester Formula: C15H15ClN2O6S MolecularWeight: 386.8074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1Cl)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1Cl)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

InChI

InChI=1S/C15H15ClN2O6S/c1-4-24-15(21)11-10(25(3,22)23)6-5-8(12(11)16)13(19)9-7-17-18(2)14(9)20/h5-7,17H,4H2,1-3H3