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

Systemtic Name: (2-methoxycarbonylfuran-3-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (2-methoxycarbonyl-3-furyl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (2-methoxycarbonyl-3-furanyl)methyl ester IUPAC Name: (2-methoxycarbonylfuran-3-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (2-carbomethoxy-3-furyl)methyl ester Formula: C20H19F3N2O7 MolecularWeight: 456.36927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)COC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CO1)COC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N2O7/c1-30-19(27)17-13(6-9-31-17)11-32-18(26)12-4-7-24(8-5-12)15-3-2-14(20(21,22)23)10-16(15)25(28)29/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3