pentyl (9Z)-9-hydroxyimino-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: pentyl (9Z)-9-hydroxyimino-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: pentyl (9Z)-9-hydroxyimino-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: (9Z)-9-hydroxyimino-2,5,7-trinitro-4-fluorenecarboxylic acid pentyl ester IUPAC Name: pentyl (9Z)-9-hydroxyimino-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: (9Z)-9-hydroximino-2,5,7-trinitro-fluorene-4-carboxylic acid amyl ester Formula: C19H16N4O9 MolecularWeight: 444.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=NO)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O9/c1-2-3-4-5-32-19(24)14-8-10(21(26)27)6-12-16(14)17-13(18(12)20-25)7-11(22(28)29)9-15(17)23(30)31/h6-9,25H,2-5H2,1H3/b20-18-