[4-(4-chloranyl-2-nitro-phenyl)carbonyl-2-ethyl-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)carbonyl-2-ethyl-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(4-chloro-2-nitro-benzoyl)-2-ethyl-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4-chloro-2-nitrophenyl)-oxomethyl]-2-ethyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chloro-2-nitrobenzoyl)-2-ethyl-5-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-chloro-2-nitro-benzoyl)-2-ethyl-5-methyl-pyrazol-3-yl] ester Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18ClN3O6S/c1-4-23-20(30-31(28,29)15-8-5-12(2)6-9-15)18(13(3)22-23)19(25)16-10-7-14(21)11-17(16)24(26)27/h5-11H,4H2,1-3H3