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

Systemtic Name: methyl 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoate Openeye Name: methyl 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propionic acid methyl ester Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)OC)C)Br

InChI

InChI=1S/C9H13BrN2O2/c1-6-9(10)7(2)12(11-6)5-4-8(13)14-3/h4-5H2,1-3H3