2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(5-esyl-2-hydroxy-phenyl)acetamide Formula: C14H15BrN4O6S MolecularWeight: 447.2611

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C14H15BrN4O6S/c1-3-26(24,25)9-4-5-11(20)10(6-9)16-12(21)7-18-8(2)13(15)14(17-18)19(22)23/h4-6,20H,3,7H2,1-2H3,(H,16,21)