N-tert-butyl-4-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]benzamide

Systemtic Name: N-tert-butyl-4-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]benzamide Openeye Name: N-tert-butyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzamide CAS Name: N-tert-butyl-4-[[3-[2-nitro-4-(trifluoromethyl)anilino]-1-oxopropyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzamide Traditional Name: N-tert-butyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzamide Formula: C21H23F3N4O4 MolecularWeight: 452.42693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N4O4/c1-20(2,3)27-19(30)13-4-7-15(8-5-13)26-18(29)10-11-25-16-9-6-14(21(22,23)24)12-17(16)28(31)32/h4-9,12,25H,10-11H2,1-3H3,(H,26,29)(H,27,30)