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

Systemtic Name: 2-[5-(phenylazanylmethyl)-1H-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid CAS Name: 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid Traditional Name: 2-[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]acetic acid Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=NC(=NN2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCC2=NC(=NN2)CC(=O)O

InChI

InChI=1S/C11H12N4O2/c16-11(17)6-9-13-10(15-14-9)7-12-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,16,17)(H,13,14,15)