3-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]propionic acid Formula: C11H10ClN3O2 MolecularWeight: 251.669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C=NC(=N2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C=NC(=N2)CCC(=O)O

InChI

InChI=1S/C11H10ClN3O2/c12-8-2-1-3-9(6-8)15-7-13-10(14-15)4-5-11(16)17/h1-3,6-7H,4-5H2,(H,16,17)