[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid [2-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C19H23F3N4O7 MolecularWeight: 476.40373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23F3N4O7/c1-32-9-6-23-18(29)24-16(27)11-33-17(28)12-4-7-25(8-5-12)14-3-2-13(19(20,21)22)10-15(14)26(30)31/h2-3,10,12H,4-9,11H2,1H3,(H2,23,24,27,29)