dimethyl 6-(2-methylbutan-2-yl)-4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate

Systemtic Name: dimethyl 6-(2-methylbutan-2-yl)-4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate Openeye Name: dimethyl 6-(1,1-dimethylpropyl)-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate CAS Name: 6-(2-methylbutan-2-yl)-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-(2-methylbutan-2-yl)-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate Traditional Name: 6-tert-amyl-4,10-diketo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid dimethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)OC)C(=O)C=C(N2)C(=O)OC

Isomeric SMILES

CCC(C)(C)C1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)OC)C(=O)C=C(N2)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-6-21(2,3)11-7-10-14(24)8-12(19(26)28-4)22-17(10)16-15(25)9-13(20(27)29-5)23-18(11)16/h7-9H,6H2,1-5H3,(H,22,24)(H,23,25)