N-(5-chloranyl-2-methoxy-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H19ClF3N3O4 MolecularWeight: 457.83077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClF3N3O4/c1-31-18-5-3-14(21)11-15(18)25-19(28)12-6-8-26(9-7-12)16-4-2-13(20(22,23)24)10-17(16)27(29)30/h2-5,10-12H,6-9H2,1H3,(H,25,28)