[2-(5-nitrooxypentylcarbamoyl)-5-(trifluoromethyl)phenyl] ethanoate

Systemtic Name: [2-(5-nitrooxypentylcarbamoyl)-5-(trifluoromethyl)phenyl] ethanoate Openeye Name: [2-(5-nitrooxypentylcarbamoyl)-5-(trifluoromethyl)phenyl] acetate CAS Name: acetic acid [2-[(5-nitrooxypentylamino)-oxomethyl]-5-(trifluoromethyl)phenyl] ester IUPAC Name: [2-(5-nitrooxypentylcarbamoyl)-5-(trifluoromethyl)phenyl] acetate Traditional Name: acetic acid [2-(5-nitrooxypentylcarbamoyl)-5-(trifluoromethyl)phenyl] ester Formula: C15H17F3N2O6 MolecularWeight: 378.30049

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)NCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)NCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C15H17F3N2O6/c1-10(21)26-13-9-11(15(16,17)18)5-6-12(13)14(22)19-7-3-2-4-8-25-20(23)24/h5-6,9H,2-4,7-8H2,1H3,(H,19,22)