N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C11H12N4O5S MolecularWeight: 312.30178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O5S/c1-6-11(7(2)13-12-6)14-21(19,20)8-3-4-10(16)9(5-8)15(17)18/h3-5,14,16H,1-2H3,(H,12,13)