N-(2,5-dimethoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H22F3N3O5 MolecularWeight: 453.41169

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O5/c1-31-15-4-6-19(32-2)16(12-15)25-20(28)13-7-9-26(10-8-13)17-5-3-14(21(22,23)24)11-18(17)27(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)