3-methylbutyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate

Systemtic Name: 3-methylbutyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: isopentyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-oxo-4-fluorenecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,5,7-trinitro-fluorene-4-carboxylic acid isoamyl ester Formula: C19H15N3O9 MolecularWeight: 429.3371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O9/c1-9(2)3-4-31-19(24)14-7-10(20(25)26)5-12-16(14)17-13(18(12)23)6-11(21(27)28)8-15(17)22(29)30/h5-9H,3-4H2,1-2H3