diethyl 5-chloranyl-4,7-bis(oxidanylidene)-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate

Systemtic Name: diethyl 5-chloranyl-4,7-bis(oxidanylidene)-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate Openeye Name: diethyl 5-chloro-4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate CAS Name: 5-chloro-4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-chloro-4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate Traditional Name: 5-chloro-4,7-diketo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylic acid diethyl ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C3C(=C(C=C2C1=O)Cl)C(=O)C(=CN3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CNC2=C3C(=C(C=C2C1=O)Cl)C(=O)C(=CN3)C(=O)OCC

InChI

InChI=1S/C18H15ClN2O6/c1-3-26-17(24)9-6-20-13-8(15(9)22)5-11(19)12-14(13)21-7-10(16(12)23)18(25)27-4-2/h5-7H,3-4H2,1-2H3,(H,20,22)(H,21,23)