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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-cyclopropyl-triazole-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-5-cyclopropyl-4-triazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-cyclopropyltriazole-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-cyclopropyl-triazole-4-carboxylic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C13H11N3O4/c17-13(18)11-12(7-1-2-7)16(15-14-11)8-3-4-9-10(5-8)20-6-19-9/h3-5,7H,1-2,6H2,(H,17,18)