butyl 9-(dicyanomethylidene)-2,7-dinitro-fluorene-4-carboxylate

Systemtic Name: butyl 9-(dicyanomethylidene)-2,7-dinitro-fluorene-4-carboxylate Openeye Name: butyl 9-(dicyanomethylene)-2,7-dinitro-fluorene-4-carboxylate CAS Name: 9-(dicyanomethylidene)-2,7-dinitro-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl 9-(dicyanomethylidene)-2,7-dinitrofluorene-4-carboxylate Traditional Name: 9-(dicyanomethylene)-2,7-dinitro-fluorene-4-carboxylic acid butyl ester Formula: C21H14N4O6 MolecularWeight: 418.35906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C(C#N)C#N)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C(C#N)C#N)C2=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6/c1-2-3-6-31-21(26)18-9-14(25(29)30)8-17-19(12(10-22)11-23)16-7-13(24(27)28)4-5-15(16)20(17)18/h4-5,7-9H,2-3,6H2,1H3