3,3-dimethyl-5-(1,2,4-triazol-1-ylmethyl)-2-benzofuran-1-one

Systemtic Name: 3,3-dimethyl-5-(1,2,4-triazol-1-ylmethyl)-2-benzofuran-1-one Openeye Name: 3,3-dimethyl-5-(1,2,4-triazol-1-ylmethyl)isobenzofuran-1-one CAS Name: 3,3-dimethyl-5-(1,2,4-triazol-1-ylmethyl)-1-isobenzofuranone IUPAC Name: 3,3-dimethyl-5-(1,2,4-triazol-1-ylmethyl)-2-benzofuran-1-one Traditional Name: 3,3-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phthalide Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)CN3C=NC=N3)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)CN3C=NC=N3)C(=O)O1)C

InChI

InChI=1S/C13H13N3O2/c1-13(2)11-5-9(6-16-8-14-7-15-16)3-4-10(11)12(17)18-13/h3-5,7-8H,6H2,1-2H3