diethyl 2-(2-ethanoyl-3,3-dimethyl-1H-1,2,4-triazol-5-yl)propanedioate

Systemtic Name: diethyl 2-(2-ethanoyl-3,3-dimethyl-1H-1,2,4-triazol-5-yl)propanedioate Openeye Name: diethyl 2-(2-acetyl-3,3-dimethyl-1H-1,2,4-triazol-5-yl)propanedioate CAS Name: 2-(2-acetyl-3,3-dimethyl-1H-1,2,4-triazol-5-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-acetyl-3,3-dimethyl-1H-1,2,4-triazol-5-yl)propanedioate Traditional Name: 2-(2-acetyl-3,3-dimethyl-1H-1,2,4-triazol-5-yl)malonic acid diethyl ester Formula: C13H21N3O5 MolecularWeight: 299.32294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(N(N1)C(=O)C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=NC(N(N1)C(=O)C)(C)C)C(=O)OCC

InChI

InChI=1S/C13H21N3O5/c1-6-20-11(18)9(12(19)21-7-2)10-14-13(4,5)16(15-10)8(3)17/h9H,6-7H2,1-5H3,(H,14,15)