5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methoxy-benzoic acid

Systemtic Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methoxy-benzoic acid Openeye Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methoxy-benzoic acid CAS Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methoxybenzoic acid IUPAC Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methoxybenzoic acid Traditional Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methoxy-benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=NC(=NN2N1)C3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=NC(=NN2N1)C3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C16H18N4O3/c1-16(2,3)12-8-13-17-14(19-20(13)18-12)9-5-6-11(23-4)10(7-9)15(21)22/h5-8,18H,1-4H3,(H,21,22)