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

Systemtic Name: 2-[3-(3-acetamido-4-methyl-phenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(3-acetamido-4-methyl-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(3-acetamido-4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(3-acetamido-4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(3-acetamido-4-methyl-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=N2)CC(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=N2)CC(=O)O)NC(=O)C

InChI

InChI=1S/C13H14N4O3/c1-7-3-4-9(5-10(7)14-8(2)18)13-15-11(16-17-13)6-12(19)20/h3-5H,6H2,1-2H3,(H,14,18)(H,19,20)(H,15,16,17)