4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoate

Systemtic Name: 4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoate Openeye Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butanoate CAS Name: 4-(4-bromo-3,5-dimethyl-1-pyrazolyl)butanoate IUPAC Name: 4-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoate Traditional Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butyrate Formula: C9H12BrN2O2- MolecularWeight: 260.10778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)[O-])C)Br

InChI

InChI=1S/C9H13BrN2O2/c1-6-9(10)7(2)12(11-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)/p-1