diethyl 1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate

Systemtic Name: diethyl 1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate Openeye Name: diethyl 1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate CAS Name: 1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate Traditional Name: 1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine-3,6-dicarboxylic acid diethyl ester Formula: C20H18N6O8 MolecularWeight: 470.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O8/c1-3-33-19(27)17-21-24(14-7-11-16(12-8-14)26(31)32)18(20(28)34-4-2)22-23(17)13-5-9-15(10-6-13)25(29)30/h5-12H,3-4H2,1-2H3