diethyl 1,4-diphenyl-1,2,4,5-tetrazine-3,6-dicarboxylate

Systemtic Name: diethyl 1,4-diphenyl-1,2,4,5-tetrazine-3,6-dicarboxylate Openeye Name: diethyl 1,4-diphenyl-1,2,4,5-tetrazine-3,6-dicarboxylate CAS Name: 1,4-diphenyl-1,2,4,5-tetrazine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,4-diphenyl-1,2,4,5-tetrazine-3,6-dicarboxylate Traditional Name: 1,4-diphenyl-1,2,4,5-tetrazine-3,6-dicarboxylic acid diethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NN1C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=NN1C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4/c1-3-27-19(25)17-21-24(16-13-9-6-10-14-16)18(20(26)28-4-2)22-23(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3