1-(4-bromophenyl)-5-(ethoxymethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-5-(ethoxymethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-(ethoxymethyl)triazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-(ethoxymethyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-(ethoxymethyl)triazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-(ethoxymethyl)triazole-4-carboxylic acid Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCOCC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H12BrN3O3/c1-2-19-7-10-11(12(17)18)14-15-16(10)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H,17,18)