2-ethyl-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-(5-ethylsulfonyl-2-hydroxy-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)S(=O)(=O)CC)O

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)S(=O)(=O)CC)O

InChI

InChI=1S/C14H16N4O6S/c1-3-17-13(11(8-15-17)18(21)22)14(20)16-10-7-9(5-6-12(10)19)25(23,24)4-2/h5-8,19H,3-4H2,1-2H3,(H,16,20)