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

Systemtic Name: [2-(2-nitrooxyethylcarbamoyl)-5-(trifluoromethyl)phenyl] ethanoate Openeye Name: [2-(2-nitrooxyethylcarbamoyl)-5-(trifluoromethyl)phenyl] acetate CAS Name: acetic acid [2-[(2-nitrooxyethylamino)-oxomethyl]-5-(trifluoromethyl)phenyl] ester IUPAC Name: [2-(2-nitrooxyethylcarbamoyl)-5-(trifluoromethyl)phenyl] acetate Traditional Name: acetic acid [2-(2-nitrooxyethylcarbamoyl)-5-(trifluoromethyl)phenyl] ester Formula: C12H11F3N2O6 MolecularWeight: 336.22075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O6/c1-7(18)23-10-6-8(12(13,14)15)2-3-9(10)11(19)16-4-5-22-17(20)21/h2-3,6H,4-5H2,1H3,(H,16,19)