dimethyl 6-butyl-4,7-bis(oxidanylidene)-1,8-dihydro-1,10-phenanthroline-3,8-dicarboxylate

Systemtic Name: dimethyl 6-butyl-4,7-bis(oxidanylidene)-1,8-dihydro-1,10-phenanthroline-3,8-dicarboxylate Openeye Name: dimethyl 6-butyl-4,7-dioxo-1,8-dihydro-1,10-phenanthroline-3,8-dicarboxylate CAS Name: 6-butyl-4,7-dioxo-1,8-dihydro-1,10-phenanthroline-3,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-butyl-4,7-dioxo-1,8-dihydro-1,10-phenanthroline-3,8-dicarboxylate Traditional Name: 6-butyl-4,7-diketo-1,8-dihydro-1,10-phenanthroline-3,8-dicarboxylic acid dimethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=O)C(C=NC2=C3C(=C1)C(=O)C(=CN3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C2C(=O)C(C=NC2=C3C(=C1)C(=O)C(=CN3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H20N2O6/c1-4-5-6-10-7-11-15(21-8-12(17(11)23)19(25)27-2)16-14(10)18(24)13(9-22-16)20(26)28-3/h7-9,13H,4-6H2,1-3H3,(H,21,23)