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

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 4-(4-chloro-2-methylphenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 4-(4-chloro-2-methylphenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-3-keto-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butyric acid Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C(=O)C(C)(C)C(=O)O)N2C=NC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C(=O)C(C)(C)C(=O)O)N2C=NC=N2

InChI

InChI=1S/C15H16ClN3O4/c1-9-6-10(16)4-5-11(9)23-13(19-8-17-7-18-19)12(20)15(2,3)14(21)22/h4-8,13H,1-3H3,(H,21,22)