2,2-dimethyl-1-[3-oxidanyl-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[3-oxidanyl-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-2-yl]propan-1-one Openeye Name: 1-[3-hydroxy-2-(1,2,4-triazol-1-yl)-3H-benzofuran-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[3-hydroxy-2-(1,2,4-triazol-1-yl)-3H-benzofuran-2-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-hydroxy-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[3-hydroxy-2-(1,2,4-triazol-1-yl)coumaran-2-yl]-2,2-dimethyl-propan-1-one Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1(C(C2=CC=CC=C2O1)O)N3C=NC=N3

Isomeric SMILES

CC(C)(C)C(=O)C1(C(C2=CC=CC=C2O1)O)N3C=NC=N3

InChI

InChI=1S/C15H17N3O3/c1-14(2,3)13(20)15(18-9-16-8-17-18)12(19)10-6-4-5-7-11(10)21-15/h4-9,12,19H,1-3H3