1-[2-(2-chloranyl-4-cyano-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-chloranyl-4-cyano-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-chloro-4-cyano-phenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-chloro-4-cyanophenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-chloro-4-cyanophenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-chloro-4-cyano-phenoxy)ethyl]triazole-4-carboxylic acid Formula: C12H9ClN4O3 MolecularWeight: 292.67786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)OCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)OCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H9ClN4O3/c13-9-5-8(6-14)1-2-11(9)20-4-3-17-7-10(12(18)19)15-16-17/h1-2,5,7H,3-4H2,(H,18,19)