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

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(4-bromanylpyrazol-1-yl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-(2,6-dibromo-4-nitrophenyl)butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-(2,6-dibromo-4-nitro-phenyl)butyramide Formula: C13H11Br3N4O3 MolecularWeight: 510.96344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Br3N4O3/c1-2-11(19-6-7(14)5-17-19)13(21)18-12-9(15)3-8(20(22)23)4-10(12)16/h3-6,11H,2H2,1H3,(H,18,21)