diethyl 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)propanedioate

Systemtic Name: diethyl 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)propanedioate Openeye Name: diethyl 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)propanedioate CAS Name: 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)propanedioate Traditional Name: 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)malonic acid diethyl ester Formula: C15H16N4O4 MolecularWeight: 316.31194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4/c1-3-22-14(20)11(15(21)23-4-2)13-18-16-12(17-19-13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3