N-(4-bromanyl-2-fluoranyl-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C14H14BrFN4O3 MolecularWeight: 385.188363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrFN4O3/c1-3-12(19-8(2)6-13(18-19)20(22)23)14(21)17-11-5-4-9(15)7-10(11)16/h4-7,12H,3H2,1-2H3,(H,17,21)