butyl 2,5,7-trinitro-9-propan-2-ylidene-fluorene-4-carboxylate

Systemtic Name: butyl 2,5,7-trinitro-9-propan-2-ylidene-fluorene-4-carboxylate Openeye Name: butyl 9-isopropylidene-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-propan-2-ylidene-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl 2,5,7-trinitro-9-propan-2-ylidenefluorene-4-carboxylate Traditional Name: 9-isopropylidene-2,5,7-trinitro-fluorene-4-carboxylic acid butyl ester Formula: C21H19N3O8 MolecularWeight: 441.39086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O8/c1-4-5-6-32-21(25)16-9-12(22(26)27)7-14-18(11(2)3)15-8-13(23(28)29)10-17(24(30)31)20(15)19(14)16/h7-10H,4-6H2,1-3H3