1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylic acid Openeye Name: 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylic acid CAS Name: 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylic acid IUPAC Name: 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylic acid Traditional Name: 1-(4-bromobenzyl)pyrazole-3,5-dicarboxylic acid Formula: C12H9BrN2O4 MolecularWeight: 325.11486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CC(=N2)C(=O)O)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC(=N2)C(=O)O)C(=O)O)Br

InChI

InChI=1S/C12H9BrN2O4/c13-8-3-1-7(2-4-8)6-15-10(12(18)19)5-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)(H,18,19)