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

Systemtic Name: dimethyl 4,10-bis(oxidanylidene)-6-pentan-2-yl-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate Openeye Name: dimethyl 6-(1-methylbutyl)-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate CAS Name: 4,10-dioxo-6-pentan-2-yl-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4,10-dioxo-6-pentan-2-yl-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate Traditional Name: 4,10-diketo-6-(1-methylbutyl)-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:

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

Isomeric SMILES

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