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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-7(2)12-11(13(17)18)14-15-16(12)8-3-4-9-10(5-8)20-6-19-9/h3-5,7H,6H2,1-2H3,(H,17,18)