tert-butyl 3-(2,4-dichlorophenyl)-3-oxidanyl-2-(1,2,4-triazol-1-yl)propanoate

Systemtic Name: tert-butyl 3-(2,4-dichlorophenyl)-3-oxidanyl-2-(1,2,4-triazol-1-yl)propanoate Openeye Name: tert-butyl 3-(2,4-dichlorophenyl)-3-hydroxy-2-(1,2,4-triazol-1-yl)propanoate CAS Name: 3-(2,4-dichlorophenyl)-3-hydroxy-2-(1,2,4-triazol-1-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2,4-dichlorophenyl)-3-hydroxy-2-(1,2,4-triazol-1-yl)propanoate Traditional Name: 3-(2,4-dichlorophenyl)-3-hydroxy-2-(1,2,4-triazol-1-yl)propionic acid tert-butyl ester Formula: C15H17Cl2N3O3 MolecularWeight: 358.21978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1=C(C=C(C=C1)Cl)Cl)O)N2C=NC=N2

Isomeric SMILES

CC(C)(C)OC(=O)C(C(C1=C(C=C(C=C1)Cl)Cl)O)N2C=NC=N2

InChI

InChI=1S/C15H17Cl2N3O3/c1-15(2,3)23-14(22)12(20-8-18-7-19-20)13(21)10-5-4-9(16)6-11(10)17/h4-8,12-13,21H,1-3H3