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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-propyl-triazole-4-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-2-3-9-12(13(17)18)14-15-16(9)8-4-5-10-11(6-8)20-7-19-10/h4-6H,2-3,7H2,1H3,(H,17,18)