1-(1,3-benzodioxol-5-yl)-5-ethyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-ethyl-triazole-4-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C12H11N3O4/c1-2-8-11(12(16)17)13-14-15(8)7-3-4-9-10(5-7)19-6-18-9/h3-5H,2,6H2,1H3,(H,16,17)