N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(4-chloranylpyrazol-1-yl)butanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(4-chloranylpyrazol-1-yl)butanamide Openeye Name: 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)butanamide CAS Name: 2-(4-chloro-1-pyrazolyl)-N-(2,6-dibromo-4-nitrophenyl)butanamide IUPAC Name: 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)butanamide Traditional Name: 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)butyramide Formula: C13H11Br2ClN4O3 MolecularWeight: 466.51244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br)N2C=C(C=N2)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br)N2C=C(C=N2)Cl

InChI

InChI=1S/C13H11Br2ClN4O3/c1-2-11(19-6-7(16)5-17-19)13(21)18-12-9(14)3-8(20(22)23)4-10(12)15/h3-6,11H,2H2,1H3,(H,18,21)