dimethyl 1,4-bis(4-methylphenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate

Systemtic Name: dimethyl 1,4-bis(4-methylphenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate Openeye Name: dimethyl 1,4-bis(p-tolyl)-1,2,4,5-tetrazine-3,6-dicarboxylate CAS Name: 1,4-bis(4-methylphenyl)-1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,4-bis(4-methylphenyl)-1,2,4,5-tetrazine-3,6-dicarboxylate Traditional Name: 1,4-bis(p-tolyl)-1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C(=N2)C(=O)OC)C3=CC=C(C=C3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C(=N2)C(=O)OC)C3=CC=C(C=C3)C)C(=O)OC

InChI

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