[2-methyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] butanoate

Systemtic Name: [2-methyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] butanoate Openeye Name: [1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)anilino]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-methyl-1-[4-nitro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [2-methyl-1-[4-nitro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] butanoate Traditional Name: butyric acid [2-keto-1,1-dimethyl-2-[4-nitro-3-(trifluoromethyl)anilino]ethyl] ester Formula: C15H17F3N2O5 MolecularWeight: 362.30109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O5/c1-4-5-12(21)25-14(2,3)13(22)19-9-6-7-11(20(23)24)10(8-9)15(16,17)18/h6-8H,4-5H2,1-3H3,(H,19,22)