N-[(4-hydroxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[(4-hydroxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(4-hydroxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(4-hydroxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-hydroxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-hydroxybenzyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H20F3N3O4 MolecularWeight: 423.38571

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O4/c21-20(22,23)15-3-6-17(18(11-15)26(29)30)25-9-7-14(8-10-25)19(28)24-12-13-1-4-16(27)5-2-13/h1-6,11,14,27H,7-10,12H2,(H,24,28)