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

Systemtic Name: N-butyl-9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxamide Openeye Name: N-butyl-9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxamide CAS Name: N-butyl-9-(dicyanomethylidene)-2,5,7-trinitro-4-fluorenecarboxamide IUPAC Name: N-butyl-9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxamide Traditional Name: N-butyl-9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxamide Formula: C21H14N6O7 MolecularWeight: 462.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=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

CCCCNC(=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/C21H14N6O7/c1-2-3-4-24-21(28)16-7-12(25(29)30)5-14-18(11(9-22)10-23)15-6-13(26(31)32)8-17(27(33)34)20(15)19(14)16/h5-8H,2-4H2,1H3,(H,24,28)