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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2-hydroxy-4-methylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H20F3N3O4 MolecularWeight: 423.38571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C20H20F3N3O4/c1-12-2-4-15(18(27)10-12)24-19(28)13-6-8-25(9-7-13)16-5-3-14(20(21,22)23)11-17(16)26(29)30/h2-5,10-11,13,27H,6-9H2,1H3,(H,24,28)