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

Systemtic Name: ethyl 4-methyl-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]pentanoate Openeye Name: ethyl 4-methyl-2-(3,4,5-tribromopyrazol-1-yl)pentanoate CAS Name: 4-methyl-2-(3,4,5-tribromo-1-pyrazolyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3,4,5-tribromopyrazol-1-yl)pentanoate Traditional Name: 4-methyl-2-(3,4,5-tribromopyrazol-1-yl)valeric acid ethyl ester Formula: C11H15Br3N2O2 MolecularWeight: 446.961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15Br3N2O2/c1-4-18-11(17)7(5-6(2)3)16-10(14)8(12)9(13)15-16/h6-7H,4-5H2,1-3H3