[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethylbutanoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethylbutanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H17F3N2O5 MolecularWeight: 362.30109

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCC(CC)C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H17F3N2O5/c1-3-9(4-2)14(22)25-8-13(21)19-12-6-5-10(20(23)24)7-11(12)15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,21)