2-(2,2-dimethylbutanoyloxy)ethyl 5,7-dinitro-4-nitroso-9-oxidanylidene-fluorene-2-carboxylate

Systemtic Name: 2-(2,2-dimethylbutanoyloxy)ethyl 5,7-dinitro-4-nitroso-9-oxidanylidene-fluorene-2-carboxylate Openeye Name: 2-(2,2-dimethylbutanoyloxy)ethyl 5,7-dinitro-4-nitroso-9-oxo-fluorene-2-carboxylate CAS Name: 5,7-dinitro-4-nitroso-9-oxo-2-fluorenecarboxylic acid 2-(2,2-dimethyl-1-oxobutoxy)ethyl ester IUPAC Name: 2-(2,2-dimethylbutanoyloxy)ethyl 5,7-dinitro-4-nitroso-9-oxofluorene-2-carboxylate Traditional Name: 9-keto-5,7-dinitro-4-nitroso-fluorene-2-carboxylic acid 2-(2,2-dimethylbutanoyloxy)ethyl ester Formula: C22H19N3O10 MolecularWeight: 485.40036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCOC(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-])N=O

Isomeric SMILES

CCC(C)(C)C(=O)OCCOC(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-])N=O

InChI

InChI=1S/C22H19N3O10/c1-4-22(2,3)21(28)35-6-5-34-20(27)11-7-13-17(15(8-11)23-29)18-14(19(13)26)9-12(24(30)31)10-16(18)25(32)33/h7-10H,4-6H2,1-3H3