2-(4-chloranylphenoxy)-4,4-dimethyl-1-oxidanyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 2-(4-chloranylphenoxy)-4,4-dimethyl-1-oxidanyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 2-(4-chlorophenoxy)-1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 2-(4-chlorophenoxy)-1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 2-(4-chlorophenoxy)-1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 2-(4-chlorophenoxy)-1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C15H18ClN3O3 MolecularWeight: 323.77472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CO)(N1C=NC=N1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(CO)(N1C=NC=N1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClN3O3/c1-14(2,3)13(21)15(8-20,19-10-17-9-18-19)22-12-6-4-11(16)5-7-12/h4-7,9-10,20H,8H2,1-3H3