diethyl 2-(2-ethanoyl-3-phenyl-1,5-dihydro-1,2,4-triazol-5-yl)propanedioate

Systemtic Name: diethyl 2-(2-ethanoyl-3-phenyl-1,5-dihydro-1,2,4-triazol-5-yl)propanedioate Openeye Name: diethyl 2-(2-acetyl-3-phenyl-1,5-dihydro-1,2,4-triazol-5-yl)propanedioate CAS Name: 2-(2-acetyl-3-phenyl-1,5-dihydro-1,2,4-triazol-5-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-acetyl-3-phenyl-1,5-dihydro-1,2,4-triazol-5-yl)propanedioate Traditional Name: 2-(2-acetyl-3-phenyl-1,5-dihydro-1,2,4-triazol-5-yl)malonic acid diethyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1NN(C(=N1)C2=CC=CC=C2)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1NN(C(=N1)C2=CC=CC=C2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C17H21N3O5/c1-4-24-16(22)13(17(23)25-5-2)14-18-15(20(19-14)11(3)21)12-9-7-6-8-10-12/h6-10,13-14,19H,4-5H2,1-3H3