3-[(4-bromanylpyrazol-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]benzoate Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoate CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]benzoate IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoate Formula: C11H8BrN2O2- MolecularWeight: 280.09742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)[O-]

InChI

InChI=1S/C11H9BrN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)/p-1