1-(4-chlorophenyl)-5,5-dimethyl-3-oxidanyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione

Systemtic Name: 1-(4-chlorophenyl)-5,5-dimethyl-3-oxidanyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-3-hydroxy-5,5-dimethyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione CAS Name: 1-(4-chlorophenyl)-3-hydroxy-5,5-dimethyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-3-hydroxy-5,5-dimethyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-3-hydroxy-5,5-dimethyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(C(=O)C1=CC=C(C=C1)Cl)N2C=NC=N2)O

Isomeric SMILES

CC(C)(C)C(=O)C(C(C(=O)C1=CC=C(C=C1)Cl)N2C=NC=N2)O

InChI

InChI=1S/C16H18ClN3O3/c1-16(2,3)15(23)14(22)12(20-9-18-8-19-20)13(21)10-4-6-11(17)7-5-10/h4-9,12,14,22H,1-3H3