3-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid

Systemtic Name: 3-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid Openeye Name: 3-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid CAS Name: 3-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid IUPAC Name: 3-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid Traditional Name: 3-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propionic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=N1)CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-9-13-11(7-8-12(16)17)15(14-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,17)