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

Systemtic Name: dipropyl 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylate Openeye Name: dipropyl 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylate CAS Name: 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylic acid dipropyl ester IUPAC Name: dipropyl 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylate Traditional Name: 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylic acid dipropyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N1C(=NN=C(N1C(=O)OCCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)N1C(=NN=C(N1C(=O)OCCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-3-15-29-21(27)25-19(17-11-7-5-8-12-17)23-24-20(18-13-9-6-10-14-18)26(25)22(28)30-16-4-2/h5-14H,3-4,15-16H2,1-2H3