ethyl 6-fluoranyl-4-oxidanylidene-1H-1,10-phenanthroline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-4-oxidanylidene-1H-1,10-phenanthroline-3-carboxylate Openeye Name: ethyl 6-fluoro-4-oxo-1H-1,10-phenanthroline-3-carboxylate CAS Name: 6-fluoro-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-4-oxo-1H-1,10-phenanthroline-3-carboxylate Traditional Name: 6-fluoro-4-keto-1H-1,10-phenanthroline-3-carboxylic acid ethyl ester Formula: C15H11FN2O3 MolecularWeight: 286.257843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C3C(=C(C=C2C1=O)F)C=CC=N3

Isomeric SMILES

CCOC(=O)C1=CNC2=C3C(=C(C=C2C1=O)F)C=CC=N3

InChI

InChI=1S/C15H11FN2O3/c1-2-21-15(20)10-7-18-13-9(14(10)19)6-11(16)8-4-3-5-17-12(8)13/h3-7H,2H2,1H3,(H,18,19)