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

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-(4-ethoxy-2-nitrophenyl)butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butyramide Formula: C15H17BrN4O4 MolecularWeight: 397.22388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O4/c1-3-13(19-9-10(16)8-17-19)15(21)18-12-6-5-11(24-4-2)7-14(12)20(22)23/h5-9,13H,3-4H2,1-2H3,(H,18,21)