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

Systemtic Name: heptyl 2,7-dinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: heptyl 2,7-dinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,7-dinitro-9-oxo-4-fluorenecarboxylic acid heptyl ester IUPAC Name: heptyl 2,7-dinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,7-dinitro-fluorene-4-carboxylic acid heptyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-2-3-4-5-6-9-30-21(25)18-12-14(23(28)29)11-17-19(18)15-8-7-13(22(26)27)10-16(15)20(17)24/h7-8,10-12H,2-6,9H2,1H3