1-[(2-bromophenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(2-bromophenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(2-bromobenzyl)pyrazole-4-carboxylic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)O)Br

InChI

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