(3-ethoxycarbonylfuran-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H21F3N2O7 MolecularWeight: 470.39585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N2O7/c1-2-31-20(28)15-7-10-32-18(15)12-33-19(27)13-5-8-25(9-6-13)16-4-3-14(21(22,23)24)11-17(16)26(29)30/h3-4,7,10-11,13H,2,5-6,8-9,12H2,1H3