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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H20ClF3N4O4 MolecularWeight: 484.85611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3N4O4/c1-12(30)26-17-4-3-15(11-16(17)22)27-20(31)13-6-8-28(9-7-13)18-5-2-14(21(23,24)25)10-19(18)29(32)33/h2-5,10-11,13H,6-9H2,1H3,(H,26,30)(H,27,31)