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

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)Br)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)Br)O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN4O4/c1-7-13(18(21)22)8(2)17(16-7)6-12(20)15-10-5-9(14)3-4-11(10)19/h3-5,19H,6H2,1-2H3,(H,15,20)