2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid

Systemtic Name: 2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid Openeye Name: 2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid CAS Name: 2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid IUPAC Name: 2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid Traditional Name: 2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyric acid Formula: C13H13Cl2N3O2 MolecularWeight: 314.16722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H13Cl2N3O2/c1-2-13(12(19)20,6-18-8-16-7-17-18)10-4-3-9(14)5-11(10)15/h3-5,7-8H,2,6H2,1H3,(H,19,20)