2-(4-bromanylpyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)butyramide Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)N2C=C(C=N2)Br

InChI

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