2,4-bis(chloranyl)-5-[3-(5-methyl-3-nitro-pyrazol-1-yl)propylsulfamoyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[3-(5-methyl-3-nitro-pyrazol-1-yl)propylsulfamoyl]benzoic acid Openeye Name: 2,4-dichloro-5-[3-(5-methyl-3-nitro-pyrazol-1-yl)propylsulfamoyl]benzoic acid CAS Name: 2,4-dichloro-5-[3-(5-methyl-3-nitro-1-pyrazolyl)propylsulfamoyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[3-(5-methyl-3-nitropyrazol-1-yl)propylsulfamoyl]benzoic acid Traditional Name: 2,4-dichloro-5-[3-(5-methyl-3-nitro-pyrazol-1-yl)propylsulfamoyl]benzoic acid Formula: C14H14Cl2N4O6S MolecularWeight: 437.25516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCCNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14Cl2N4O6S/c1-8-5-13(20(23)24)18-19(8)4-2-3-17-27(25,26)12-6-9(14(21)22)10(15)7-11(12)16/h5-7,17H,2-4H2,1H3,(H,21,22)