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

Systemtic Name: dimethyl 6-butyl-4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate Openeye Name: dimethyl 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate CAS Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate Traditional Name: 6-butyl-4,10-diketo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid dimethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)OC)C(=O)C=C(N2)C(=O)OC

Isomeric SMILES

CCCCC1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)OC)C(=O)C=C(N2)C(=O)OC

InChI

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