4-imidazol-1-yl-3-nitro-N-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide Traditional Name: 4-imidazol-1-yl-3-nitro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide Formula: C18H13F3N4O4 MolecularWeight: 406.31543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])OCC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])OCC(F)(F)F

InChI

InChI=1S/C18H13F3N4O4/c19-18(20,21)10-29-14-4-2-13(3-5-14)23-17(26)12-1-6-15(16(9-12)25(27)28)24-8-7-22-11-24/h1-9,11H,10H2,(H,23,26)