3-[(4-bromophenyl)methyl]-1,3-dihydropyrazole-2-carboxylic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-1,3-dihydropyrazole-2-carboxylic acid Openeye Name: 3-[(4-bromophenyl)methyl]-1,3-dihydropyrazole-2-carboxylic acid CAS Name: 3-[(4-bromophenyl)methyl]-1,3-dihydropyrazole-2-carboxylic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-1,3-dihydropyrazole-2-carboxylic acid Traditional Name: 5-(4-bromobenzyl)-3-pyrazoline-1-carboxylic acid Formula: C11H11BrN2O2 MolecularWeight: 283.12124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNN(C1CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CNN(C1CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C11H11BrN2O2/c12-9-3-1-8(2-4-9)7-10-5-6-13-14(10)11(15)16/h1-6,10,13H,7H2,(H,15,16)