4-(4-bromanyl-3-methyl-pyrazol-1-yl)butanoate

Systemtic Name: 4-(4-bromanyl-3-methyl-pyrazol-1-yl)butanoate Openeye Name: 4-(4-bromo-3-methyl-pyrazol-1-yl)butanoate CAS Name: 4-(4-bromo-3-methyl-1-pyrazolyl)butanoate IUPAC Name: 4-(4-bromo-3-methylpyrazol-1-yl)butanoate Traditional Name: 4-(4-bromo-3-methyl-pyrazol-1-yl)butyrate Formula: C8H10BrN2O2- MolecularWeight: 246.0812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCC(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Br)CCCC(=O)[O-]

InChI

InChI=1S/C8H11BrN2O2/c1-6-7(9)5-11(10-6)4-2-3-8(12)13/h5H,2-4H2,1H3,(H,12,13)/p-1