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

Systemtic Name: methyl 2-chloranyl-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H13ClN2O6S MolecularWeight: 372.78082

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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(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O6S/c1-17-13(19)8(6-16-17)12(18)7-4-5-9(24(3,21)22)10(11(7)15)14(20)23-2/h4-6,16H,1-3H3