N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C

InChI

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