butyl (9E)-9-[cyano(dimethylamino)methylidene]-2,7-dinitro-fluorene-4-carboxylate

Systemtic Name: butyl (9E)-9-[cyano(dimethylamino)methylidene]-2,7-dinitro-fluorene-4-carboxylate Openeye Name: butyl (9E)-9-[cyano(dimethylamino)methylene]-2,7-dinitro-fluorene-4-carboxylate CAS Name: (9E)-9-[cyano(dimethylamino)methylidene]-2,7-dinitro-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl (9E)-9-[cyano(dimethylamino)methylidene]-2,7-dinitrofluorene-4-carboxylate Traditional Name: (9E)-9-[cyano(dimethylamino)methylene]-2,7-dinitro-fluorene-4-carboxylic acid butyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O6/c1-4-5-8-32-22(27)18-11-14(26(30)31)10-17-20(18)15-7-6-13(25(28)29)9-16(15)21(17)19(12-23)24(2)3/h6-7,9-11H,4-5,8H2,1-3H3/b21-19+