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

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-cyclohexylpropanoate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C19H23F3N2O5 MolecularWeight: 416.39153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)CCC2CCCCC2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)CCC2CCCCC2

InChI

InChI=1S/C19H23F3N2O5/c1-12(29-17(25)10-7-13-5-3-2-4-6-13)18(26)23-16-9-8-14(24(27)28)11-15(16)19(20,21)22/h8-9,11-13H,2-7,10H2,1H3,(H,23,26)