2-[5-[[(4-bromophenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[(4-bromophenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-[5-[(4-bromoanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid CAS Name: 2-[5-[(4-bromoanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-[5-[(4-bromoanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid Traditional Name: 2-[5-[(4-bromoanilino)methyl]-1H-1,2,4-triazol-3-yl]acetic acid Formula: C11H11BrN4O2 MolecularWeight: 311.13464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=NC(=NN2)CC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1NCC2=NC(=NN2)CC(=O)O)Br

InChI

InChI=1S/C11H11BrN4O2/c12-7-1-3-8(4-2-7)13-6-10-14-9(15-16-10)5-11(17)18/h1-4,13H,5-6H2,(H,17,18)(H,14,15,16)