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

Systemtic Name: ethyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]decanoate Openeye Name: ethyl 2-(3,4,5-tribromopyrazol-1-yl)decanoate CAS Name: 2-(3,4,5-tribromo-1-pyrazolyl)decanoic acid ethyl ester IUPAC Name: ethyl 2-(3,4,5-tribromopyrazol-1-yl)decanoate Traditional Name: 2-(3,4,5-tribromopyrazol-1-yl)capric acid ethyl ester Formula: C15H23Br3N2O2 MolecularWeight: 503.06732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23Br3N2O2/c1-3-5-6-7-8-9-10-11(15(21)22-4-2)20-14(18)12(16)13(17)19-20/h11H,3-10H2,1-2H3