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

Systemtic Name: N-butyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-butyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-butyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-butyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-butyl-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C17H22F3N3O3 MolecularWeight: 373.37009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O3/c1-2-3-8-21-16(24)12-6-9-22(10-7-12)14-5-4-13(17(18,19)20)11-15(14)23(25)26/h4-5,11-12H,2-3,6-10H2,1H3,(H,21,24)