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

Systemtic Name: 4-(4-chloranylphenoxy)-2-methyl-3-oxidanylidene-2-propan-2-yl-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 4-(4-chlorophenoxy)-2-isopropyl-2-methyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 4-(4-chlorophenoxy)-2-methyl-3-oxo-2-propan-2-yl-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 4-(4-chlorophenoxy)-2-methyl-3-oxo-2-propan-2-yl-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 4-(4-chlorophenoxy)-2-isopropyl-3-keto-2-methyl-4-(1,2,4-triazol-1-yl)butyric acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O4/c1-10(2)16(3,15(22)23)13(21)14(20-9-18-8-19-20)24-12-6-4-11(17)5-7-12/h4-10,14H,1-3H3,(H,22,23)