N-(5-bromanylpyridin-2-yl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(5-bromo-2-pyridinyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-bromo-2-pyridyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN5O3/c1-2-10(17-7-9(6-15-17)18(20)21)12(19)16-11-4-3-8(13)5-14-11/h3-7,10H,2H2,1H3,(H,14,16,19)