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

Systemtic Name: 2,2-dimethyl-1-[3-methyl-3-oxidanyl-2-(1,2,4-triazol-1-yl)-1-benzofuran-2-yl]propan-1-one Openeye Name: 1-[3-hydroxy-3-methyl-2-(1,2,4-triazol-1-yl)benzofuran-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[3-hydroxy-3-methyl-2-(1,2,4-triazol-1-yl)-2-benzofuranyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-hydroxy-3-methyl-2-(1,2,4-triazol-1-yl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[3-hydroxy-3-methyl-2-(1,2,4-triazol-1-yl)coumaran-2-yl]-2,2-dimethyl-propan-1-one Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2OC1(C(=O)C(C)(C)C)N3C=NC=N3)O

Isomeric SMILES

CC1(C2=CC=CC=C2OC1(C(=O)C(C)(C)C)N3C=NC=N3)O

InChI

InChI=1S/C16H19N3O3/c1-14(2,3)13(20)16(19-10-17-9-18-19)15(4,21)11-7-5-6-8-12(11)22-16/h5-10,21H,1-4H3