ethyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]octanoate

Systemtic Name: ethyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]octanoate Openeye Name: ethyl 2-(3,4,5-tribromopyrazol-1-yl)octanoate CAS Name: 2-(3,4,5-tribromo-1-pyrazolyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(3,4,5-tribromopyrazol-1-yl)octanoate Traditional Name: 2-(3,4,5-tribromopyrazol-1-yl)caprylic acid ethyl ester Formula: C13H19Br3N2O2 MolecularWeight: 475.01416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)N1C(=C(C(=N1)Br)Br)Br

Isomeric SMILES

CCCCCCC(C(=O)OCC)N1C(=C(C(=N1)Br)Br)Br

InChI

InChI=1S/C13H19Br3N2O2/c1-3-5-6-7-8-9(13(19)20-4-2)18-12(16)10(14)11(15)17-18/h9H,3-8H2,1-2H3