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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-tert-butyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-tert-butyl-triazole-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-5-tert-butyl-4-triazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-tert-butyltriazole-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-tert-butyl-triazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-14(2,3)12-11(13(18)19)15-16-17(12)8-4-5-9-10(6-8)21-7-20-9/h4-6H,7H2,1-3H3,(H,18,19)