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

Systemtic Name: ethyl 3-methyl-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]butanoate Openeye Name: ethyl 3-methyl-2-(3,4,5-tribromopyrazol-1-yl)butanoate CAS Name: 3-methyl-2-(3,4,5-tribromo-1-pyrazolyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(3,4,5-tribromopyrazol-1-yl)butanoate Traditional Name: 3-methyl-2-(3,4,5-tribromopyrazol-1-yl)butyric acid ethyl ester Formula: C10H13Br3N2O2 MolecularWeight: 432.93442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13Br3N2O2/c1-4-17-10(16)7(5(2)3)15-9(13)6(11)8(12)14-15/h5,7H,4H2,1-3H3