1-(4-bromophenyl)-2,5-dimethyl-pyrazol-2-ium-3-carboxylate

Systemtic Name: 1-(4-bromophenyl)-2,5-dimethyl-pyrazol-2-ium-3-carboxylate Openeye Name: 1-(4-bromophenyl)-2,5-dimethyl-pyrazol-2-ium-3-carboxylate CAS Name: 1-(4-bromophenyl)-2,5-dimethyl-3-pyrazol-2-iumcarboxylate IUPAC Name: 1-(4-bromophenyl)-2,5-dimethylpyrazol-2-ium-3-carboxylate Traditional Name: 1-(4-bromophenyl)-2,5-dimethyl-pyrazol-2-ium-3-carboxylate Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1C2=CC=C(C=C2)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](N1C2=CC=C(C=C2)Br)C)C(=O)[O-]

InChI

InChI=1S/C12H11BrN2O2/c1-8-7-11(12(16)17)14(2)15(8)10-5-3-9(13)4-6-10/h3-7H,1-2H3