2-[4-(6-fluoranyl-2-methanoyl-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl ethanoate

Systemtic Name: 2-[4-(6-fluoranyl-2-methanoyl-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl ethanoate Openeye Name: 2-[4-(6-fluoro-2-formyl-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[4-(6-fluoro-2-formyl-3-nitrophenoxy)-1-oxobutyl]-hexylamino]ethyl ester IUPAC Name: 2-[4-(6-fluoro-2-formyl-3-nitrophenoxy)butanoyl-hexylamino]ethyl acetate Traditional Name: acetic acid 2-[4-(6-fluoro-2-formyl-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl ester Formula: C21H29FN2O7 MolecularWeight: 440.462563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCOC(=O)C)C(=O)CCCOC1=C(C=CC(=C1C=O)[N+](=O)[O-])F

Isomeric SMILES

CCCCCCN(CCOC(=O)C)C(=O)CCCOC1=C(C=CC(=C1C=O)[N+](=O)[O-])F

InChI

InChI=1S/C21H29FN2O7/c1-3-4-5-6-11-23(12-14-30-16(2)26)20(27)8-7-13-31-21-17(15-25)19(24(28)29)10-9-18(21)22/h9-10,15H,3-8,11-14H2,1-2H3