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

Systemtic Name: 4-chloranyl-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-(5-esyl-2-hydroxy-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H11ClN4O6S MolecularWeight: 374.75694

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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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4O6S/c1-2-24(22,23)6-3-4-8(18)7(5-6)14-12(19)10-9(13)11(16-15-10)17(20)21/h3-5,18H,2H2,1H3,(H,14,19)(H,15,16)