4-[2,4-bis(chloranyl)phenoxy]-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 4-(2,4-dichlorophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 4-(2,4-dichlorophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 4-(2,4-dichlorophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 4-(2,4-dichlorophenoxy)-3-keto-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butyric acid Formula: C14H13Cl2N3O4 MolecularWeight: 358.17672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Cl2N3O4/c1-14(2,13(21)22)11(20)12(19-7-17-6-18-19)23-10-4-3-8(15)5-9(10)16/h3-7,12H,1-2H3,(H,21,22)