[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C16H17F3N2O6 MolecularWeight: 390.31119

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C16H17F3N2O6/c17-16(18,19)10-4-5-11(12(8-10)21(25)26)20-13(22)9-27-14(23)15(24)6-2-1-3-7-15/h4-5,8,24H,1-3,6-7,9H2,(H,20,22)