N-(3-ethoxypropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(3-ethoxypropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C18H24F3N3O4 MolecularWeight: 403.39607

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H24F3N3O4/c1-2-28-11-3-8-22-17(25)13-6-9-23(10-7-13)15-5-4-14(18(19,20)21)12-16(15)24(26)27/h4-5,12-13H,2-3,6-11H2,1H3,(H,22,25)