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

Systemtic Name: 3-methylbutyl 9-(dicyanomethylidene)-2,7-dinitro-fluorene-4-carboxylate Openeye Name: isopentyl 9-(dicyanomethylene)-2,7-dinitro-fluorene-4-carboxylate CAS Name: 9-(dicyanomethylidene)-2,7-dinitro-4-fluorenecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 9-(dicyanomethylidene)-2,7-dinitrofluorene-4-carboxylate Traditional Name: 9-(dicyanomethylene)-2,7-dinitro-fluorene-4-carboxylic acid isoamyl ester Formula: C22H16N4O6 MolecularWeight: 432.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=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

CC(C)CCOC(=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/C22H16N4O6/c1-12(2)5-6-32-22(27)19-9-15(26(30)31)8-18-20(13(10-23)11-24)17-7-14(25(28)29)3-4-16(17)21(18)19/h3-4,7-9,12H,5-6H2,1-2H3