[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H19F3N4O7 MolecularWeight: 496.39337

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H19F3N4O7/c22-21(23,24)16-11-14(28(33)34)4-6-17(16)25-19(29)12-35-20(30)15-10-13(27(31)32)5-7-18(15)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9,12H2,(H,25,29)