diethyl 5-ethoxy-3-(phenylcarbonyl)-3H-1,2,4-triazole-1,2-dicarboxylate

Systemtic Name: diethyl 5-ethoxy-3-(phenylcarbonyl)-3H-1,2,4-triazole-1,2-dicarboxylate Openeye Name: diethyl 3-benzoyl-5-ethoxy-3H-1,2,4-triazole-1,2-dicarboxylate CAS Name: 3-benzoyl-5-ethoxy-3H-1,2,4-triazole-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-benzoyl-5-ethoxy-3H-1,2,4-triazole-1,2-dicarboxylate Traditional Name: 3-benzoyl-5-ethoxy-3H-1,2,4-triazole-1,2-dicarboxylic acid diethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(N(N1C(=O)OCC)C(=O)OCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=NC(N(N1C(=O)OCC)C(=O)OCC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O6/c1-4-24-15-18-14(13(21)12-10-8-7-9-11-12)19(16(22)25-5-2)20(15)17(23)26-6-3/h7-11,14H,4-6H2,1-3H3