3-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[3-[2-nitro-4-(trifluoromethyl)anilino]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]-4-pyrrolidino-benzamide Formula: C21H22F3N5O4 MolecularWeight: 465.42569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N5O4/c22-21(23,24)14-4-5-15(18(12-14)29(32)33)26-8-7-19(30)27-16-11-13(20(25)31)3-6-17(16)28-9-1-2-10-28/h3-6,11-12,26H,1-2,7-10H2,(H2,25,31)(H,27,30)