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

Systemtic Name: 2-[4-(2-ethanoyl-6-fluoranyl-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl ethanoate Openeye Name: 2-[4-(2-acetyl-6-fluoro-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[4-(2-acetyl-6-fluoro-3-nitrophenoxy)-1-oxobutyl]-hexylamino]ethyl ester IUPAC Name: 2-[4-(2-acetyl-6-fluoro-3-nitrophenoxy)butanoyl-hexylamino]ethyl acetate Traditional Name: acetic acid 2-[4-(2-acetyl-6-fluoro-3-nitro-phenoxy)butanoyl-hexyl-amino]ethyl ester Formula: C22H31FN2O7 MolecularWeight: 454.489143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN2O7/c1-4-5-6-7-12-24(13-15-31-17(3)27)20(28)9-8-14-32-22-18(23)10-11-19(25(29)30)21(22)16(2)26/h10-11H,4-9,12-15H2,1-3H3