2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanoic acid Openeye Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetic acid CAS Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetic acid IUPAC Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetic acid Traditional Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CN2C=NC=N2

InChI

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