4-[(4-bromanyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate

Systemtic Name: 4-[(4-bromanyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate Openeye Name: 4-[(4-bromo-1H-pyrazol-2-ium-2-yl)methyl]benzoate CAS Name: 4-[(4-bromo-1H-pyrazol-2-ium-2-yl)methyl]benzoate IUPAC Name: 4-[(4-bromo-1H-pyrazol-2-ium-2-yl)methyl]benzoate Traditional Name: 4-[(4-bromo-1H-pyrazol-2-ium-2-yl)methyl]benzoate Formula: C11H9BrN2O2 MolecularWeight: 281.10536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC(=CN2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC(=CN2)Br)C(=O)[O-]

InChI

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