diethyl 2-(1,4-diethanoyl-5-methyl-5-phenyl-1,2,4-triazol-3-yl)propanedioate

Systemtic Name: diethyl 2-(1,4-diethanoyl-5-methyl-5-phenyl-1,2,4-triazol-3-yl)propanedioate Openeye Name: diethyl 2-(1,4-diacetyl-5-methyl-5-phenyl-1,2,4-triazol-3-yl)propanedioate CAS Name: 2-(1,4-diacetyl-5-methyl-5-phenyl-1,2,4-triazol-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,4-diacetyl-5-methyl-5-phenyl-1,2,4-triazol-3-yl)propanedioate Traditional Name: 2-(1,4-diacetyl-5-methyl-5-phenyl-1,2,4-triazol-3-yl)malonic acid diethyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NN(C(N1C(=O)C)(C)C2=CC=CC=C2)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=NN(C(N1C(=O)C)(C)C2=CC=CC=C2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C20H25N3O6/c1-6-28-18(26)16(19(27)29-7-2)17-21-23(14(4)25)20(5,22(17)13(3)24)15-11-9-8-10-12-15/h8-12,16H,6-7H2,1-5H3