N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N4O6S/c1-3-26(24,25)11-4-5-13(20)12(9-11)16-15(21)6-7-18-10(2)8-14(17-18)19(22)23/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,16,21)