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

Systemtic Name: 3-[4-(1,2,4-triazol-4-yl)phenyl]propanoic acid Openeye Name: 3-[4-(1,2,4-triazol-4-yl)phenyl]propanoic acid CAS Name: 3-[4-(1,2,4-triazol-4-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(1,2,4-triazol-4-yl)phenyl]propanoic acid Traditional Name: 3-[4-(1,2,4-triazol-4-yl)phenyl]propionic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2C=NN=C2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2C=NN=C2

InChI

InChI=1S/C11H11N3O2/c15-11(16)6-3-9-1-4-10(5-2-9)14-7-12-13-8-14/h1-2,4-5,7-8H,3,6H2,(H,15,16)