N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C13H12BrFN4O3 MolecularWeight: 371.161783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrFN4O3/c1-2-12(18-7-9(6-16-18)19(21)22)13(20)17-11-4-3-8(14)5-10(11)15/h3-7,12H,2H2,1H3,(H,17,20)