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

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H14N4O7S MolecularWeight: 370.33786

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O7S/c1-3-25(22,23)7-4-5-9(18)8(6-7)14-12(19)10-11(17(20)21)13(24-2)16-15-10/h4-6,18H,3H2,1-2H3,(H,14,19)(H,15,16)