heptyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate

Systemtic Name: heptyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: heptyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-oxo-4-fluorenecarboxylic acid heptyl ester IUPAC Name: heptyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,5,7-trinitro-fluorene-4-carboxylic acid heptyl ester Formula: C21H19N3O9 MolecularWeight: 457.39026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O9/c1-2-3-4-5-6-7-33-21(26)16-10-12(22(27)28)8-14-18(16)19-15(20(14)25)9-13(23(29)30)11-17(19)24(31)32/h8-11H,2-7H2,1H3