1-[2-(3-ethanoylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(3-ethanoylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(3-acetylphenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(3-acetylphenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(3-acetylphenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(3-acetylphenoxy)ethyl]triazole-4-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-9(17)10-3-2-4-11(7-10)20-6-5-16-8-12(13(18)19)14-15-16/h2-4,7-8H,5-6H2,1H3,(H,18,19)