N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[1-(2-furylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[1-(2-furanylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[1-(2-furfuryl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(methylamino)-3-nitro-benzamide Formula: C21H16F3N5O4 MolecularWeight: 459.37805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N5O4/c1-25-15-6-4-12(9-18(15)29(31)32)19(30)27-20-26-16-10-13(21(22,23)24)5-7-17(16)28(20)11-14-3-2-8-33-14/h2-10,25H,11H2,1H3,(H,26,27,30)