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

Systemtic Name: 4-(4-chloranylphenoxy)-2-methyl-3-oxidanylidene-2-phenyl-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 4-(4-chlorophenoxy)-2-methyl-3-oxo-2-phenyl-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 4-(4-chlorophenoxy)-2-methyl-3-oxo-2-phenyl-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 4-(4-chlorophenoxy)-2-methyl-3-oxo-2-phenyl-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 4-(4-chlorophenoxy)-3-keto-2-methyl-2-phenyl-4-(1,2,4-triazol-1-yl)butyric acid Formula: C19H16ClN3O4 MolecularWeight: 385.80104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)C(N2C=NC=N2)OC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)C(N2C=NC=N2)OC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H16ClN3O4/c1-19(18(25)26,13-5-3-2-4-6-13)16(24)17(23-12-21-11-22-23)27-15-9-7-14(20)8-10-15/h2-12,17H,1H3,(H,25,26)