diethyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)propanedioate

Systemtic Name: diethyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)propanedioate Openeye Name: diethyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)propanedioate CAS Name: 2-(5,6-diphenyl-1,2,4-triazin-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)propanedioate Traditional Name: 2-(5,6-diphenyl-1,2,4-triazin-3-yl)malonic acid diethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H21N3O4/c1-3-28-21(26)17(22(27)29-4-2)20-23-18(15-11-7-5-8-12-15)19(24-25-20)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3