methyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]ethanoate

Systemtic Name: methyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]ethanoate Openeye Name: methyl 2-(3,4,5-tribromopyrazol-1-yl)acetate CAS Name: 2-(3,4,5-tribromo-1-pyrazolyl)acetic acid methyl ester IUPAC Name: methyl 2-(3,4,5-tribromopyrazol-1-yl)acetate Traditional Name: 2-(3,4,5-tribromopyrazol-1-yl)acetic acid methyl ester Formula: C6H5Br3N2O2 MolecularWeight: 376.8281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=C(C(=N1)Br)Br)Br

Isomeric SMILES

COC(=O)CN1C(=C(C(=N1)Br)Br)Br

InChI

InChI=1S/C6H5Br3N2O2/c1-13-3(12)2-11-6(9)4(7)5(8)10-11/h2H2,1H3