3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate

Systemtic Name: 3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: 3-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]propyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-oxo-4-fluorenecarboxylic acid 3-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]propyl ester IUPAC Name: 3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,5,7-trinitro-fluorene-4-carboxylic acid 3-[(4S)-4-tert-butyl-2-oxazolin-2-yl]propyl ester Formula: C24H22N4O10 MolecularWeight: 526.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(=N1)CCCOC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1COC(=N1)CCCOC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O10/c1-24(2,3)18-11-38-19(25-18)5-4-6-37-23(30)16-9-12(26(31)32)7-14-20(16)21-15(22(14)29)8-13(27(33)34)10-17(21)28(35)36/h7-10,18H,4-6,11H2,1-3H3/t18-/m1/s1