heptadecyl (9Z)-9-hydroxyimino-2,7-dinitro-fluorene-4-carboxylate

Systemtic Name: heptadecyl (9Z)-9-hydroxyimino-2,7-dinitro-fluorene-4-carboxylate Openeye Name: heptadecyl (9Z)-9-hydroxyimino-2,7-dinitro-fluorene-4-carboxylate CAS Name: (9Z)-9-hydroxyimino-2,7-dinitro-4-fluorenecarboxylic acid heptadecyl ester IUPAC Name: heptadecyl (9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate Traditional Name: (9Z)-9-hydroximino-2,7-dinitro-fluorene-4-carboxylic acid heptadecyl ester Formula: C31H41N3O7 MolecularWeight: 567.67314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NO)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-41-31(35)28-22-24(34(39)40)21-27-29(28)25-18-17-23(33(37)38)20-26(25)30(27)32-36/h17-18,20-22,36H,2-16,19H2,1H3/b32-30-