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

Systemtic Name: N-(4-acetamidophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H21F3N4O4 MolecularWeight: 450.41105

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O4/c1-13(29)25-16-3-5-17(6-4-16)26-20(30)14-8-10-27(11-9-14)18-7-2-15(21(22,23)24)12-19(18)28(31)32/h2-7,12,14H,8-11H2,1H3,(H,25,29)(H,26,30)