dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

Systemtic Name: dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate Openeye Name: dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate CAS Name: 1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate Traditional Name: 1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester Formula: C6H6N4O4 MolecularWeight: 198.13624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN=C(N=N1)C(=O)OC

Isomeric SMILES

COC(=O)C1=NN=C(N=N1)C(=O)OC

InChI

InChI=1S/C6H6N4O4/c1-13-5(11)3-7-9-4(10-8-3)6(12)14-2/h1-2H3