N-(2-methyl-1,3-benzoxazol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H19F3N4O4 MolecularWeight: 448.39517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N4O4/c1-12-25-16-11-15(3-5-19(16)32-12)26-20(29)13-6-8-27(9-7-13)17-4-2-14(21(22,23)24)10-18(17)28(30)31/h2-5,10-11,13H,6-9H2,1H3,(H,26,29)