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

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H14N4O6S MolecularWeight: 354.33846

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O6S/c1-3-24(22,23)8-4-5-11(18)9(6-8)14-13(19)12-10(17(20)21)7-16(2)15-12/h4-7,18H,3H2,1-2H3,(H,14,19)