octyl 2,7-dinitro-9-oxidanylidene-fluorene-4-carboxylate

Systemtic Name: octyl 2,7-dinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: octyl 2,7-dinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,7-dinitro-9-oxo-4-fluorenecarboxylic acid octyl ester IUPAC Name: octyl 2,7-dinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,7-dinitro-fluorene-4-carboxylic acid octyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7/c1-2-3-4-5-6-7-10-31-22(26)19-13-15(24(29)30)12-18-20(19)16-9-8-14(23(27)28)11-17(16)21(18)25/h8-9,11-13H,2-7,10H2,1H3