N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[5-methoxy-2-(trifluoromethyl)-1-benzimidazolyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-3,5-dinitro-benzamide Formula: C22H14F3N5O6 MolecularWeight: 501.37167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14F3N5O6/c1-36-17-6-7-19-18(11-17)27-21(22(23,24)25)28(19)14-4-2-13(3-5-14)26-20(31)12-8-15(29(32)33)10-16(9-12)30(34)35/h2-11H,1H3,(H,26,31)