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

Systemtic Name: 3-methylbutyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: isopentyl 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: 9-(dicyanomethylidene)-2,5,7-trinitro-4-fluorenecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylic acid isoamyl ester Formula: C22H15N5O8 MolecularWeight: 477.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=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

CC(C)CCOC(=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/C22H15N5O8/c1-11(2)3-4-35-22(28)17-7-13(25(29)30)5-15-19(12(9-23)10-24)16-6-14(26(31)32)8-18(27(33)34)21(16)20(15)17/h5-8,11H,3-4H2,1-2H3