[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methylbutanoate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methylbutanoate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H17F3N2O5 MolecularWeight: 362.30109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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