N-(4-chloranyl-3-nitro-phenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide CAS Name: N-(4-chloro-3-nitrophenyl)-1,3,5-trimethyl-4-pyrazolesulfonamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN4O4S/c1-7-12(8(2)16(3)14-7)22(20,21)15-9-4-5-10(13)11(6-9)17(18)19/h4-6,15H,1-3H3