octyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]propanoate

Systemtic Name: octyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]propanoate Openeye Name: octyl 2-(3,4,5-tribromopyrazol-1-yl)propanoate CAS Name: 2-(3,4,5-tribromo-1-pyrazolyl)propanoic acid octyl ester IUPAC Name: octyl 2-(3,4,5-tribromopyrazol-1-yl)propanoate Traditional Name: 2-(3,4,5-tribromopyrazol-1-yl)propionic acid octyl ester Formula: C14H21Br3N2O2 MolecularWeight: 489.04074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)N1C(=C(C(=N1)Br)Br)Br

Isomeric SMILES

CCCCCCCCOC(=O)C(C)N1C(=C(C(=N1)Br)Br)Br

InChI

InChI=1S/C14H21Br3N2O2/c1-3-4-5-6-7-8-9-21-14(20)10(2)19-13(17)11(15)12(16)18-19/h10H,3-9H2,1-2H3