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

Systemtic Name: tert-butyl 3-(2,4-dichlorophenyl)-3-propanoyloxy-2-(1,2,4-triazol-1-yl)propanoate Openeye Name: tert-butyl 3-(2,4-dichlorophenyl)-3-propanoyloxy-2-(1,2,4-triazol-1-yl)propanoate CAS Name: 3-(2,4-dichlorophenyl)-3-(1-oxopropoxy)-2-(1,2,4-triazol-1-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2,4-dichlorophenyl)-3-propanoyloxy-2-(1,2,4-triazol-1-yl)propanoate Traditional Name: 3-(2,4-dichlorophenyl)-3-propionyloxy-2-(1,2,4-triazol-1-yl)propionic acid tert-butyl ester Formula: C18H21Cl2N3O4 MolecularWeight: 414.28304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O4/c1-5-14(24)26-16(12-7-6-11(19)8-13(12)20)15(23-10-21-9-22-23)17(25)27-18(2,3)4/h6-10,15-16H,5H2,1-4H3