butyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: butyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: butyl 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: 9-(dicyanomethylidene)-2,5,7-trinitro-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylic acid butyl ester Formula: C21H13N5O8 MolecularWeight: 463.35662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C#N)C#N)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C#N)C#N)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O8/c1-2-3-4-34-21(27)16-7-12(24(28)29)5-14-18(11(9-22)10-23)15-6-13(25(30)31)8-17(26(32)33)20(15)19(14)16/h5-8H,2-4H2,1H3