[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C20H26F3N3O5 MolecularWeight: 445.43275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H26F3N3O5/c1-12(2)13(3)24-18(27)11-31-19(28)14-6-8-25(9-7-14)16-5-4-15(20(21,22)23)10-17(16)26(29)30/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,24,27)