4-(4-chloranylphenoxy)-2-ethyl-2-methyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid

Systemtic Name: 4-(4-chloranylphenoxy)-2-ethyl-2-methyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 4-(4-chlorophenoxy)-2-ethyl-2-methyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 4-(4-chlorophenoxy)-2-ethyl-2-methyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 4-(4-chlorophenoxy)-2-ethyl-2-methyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 4-(4-chlorophenoxy)-2-ethyl-3-keto-2-methyl-4-(1,2,4-triazol-1-yl)butyric acid Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O4/c1-3-15(2,14(21)22)12(20)13(19-9-17-8-18-19)23-11-6-4-10(16)5-7-11/h4-9,13H,3H2,1-2H3,(H,21,22)