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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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