4-(4-bromanylphenoxy)-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid

Systemtic Name: 4-(4-bromanylphenoxy)-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 4-(4-bromophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 4-(4-bromophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 4-(4-bromophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 4-(4-bromophenoxy)-3-keto-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butyric acid Formula: C14H14BrN3O4 MolecularWeight: 368.18266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O4/c1-14(2,13(20)21)11(19)12(18-8-16-7-17-18)22-10-5-3-9(15)4-6-10/h3-8,12H,1-2H3,(H,20,21)