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

Systemtic Name: methyl 2-chloranyl-6-methylsulfonyl-3-[(3-oxidanylidene-2-propan-2-yl-1H-pyrazol-4-yl)carbonyl]benzoate Openeye Name: methyl 2-chloro-3-(2-isopropyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-benzoate CAS Name: 2-chloro-6-methylsulfonyl-3-[oxo-(3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-6-methylsulfonyl-3-(3-oxo-2-propan-2-yl-1H-pyrazole-4-carbonyl)benzoate Traditional Name: 2-chloro-3-(1-isopropyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-benzoic acid methyl ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OC)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OC)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-8(2)19-15(21)10(7-18-19)14(20)9-5-6-11(26(4,23)24)12(13(9)17)16(22)25-3/h5-8,18H,1-4H3