1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-isopropyl-triazole-4-carboxylic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-isopropyl-triazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

CC(C)C1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-8(2)13-12(14(18)19)15-16-17(13)9-3-4-10-11(7-9)21-6-5-20-10/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)