7-nitro-1-propan-2-yl-2,5-bis(trifluoromethyl)benzimidazole

Systemtic Name: 7-nitro-1-propan-2-yl-2,5-bis(trifluoromethyl)benzimidazole Openeye Name: 1-isopropyl-7-nitro-2,5-bis(trifluoromethyl)benzimidazole CAS Name: 7-nitro-1-propan-2-yl-2,5-bis(trifluoromethyl)benzimidazole IUPAC Name: 7-nitro-1-propan-2-yl-2,5-bis(trifluoromethyl)benzimidazole Traditional Name: 1-isopropyl-7-nitro-2,5-bis(trifluoromethyl)benzimidazole Formula: C12H9F6N3O2 MolecularWeight: 341.209179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=C1C(F)(F)F

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=C1C(F)(F)F

InChI

InChI=1S/C12H9F6N3O2/c1-5(2)20-9-7(19-10(20)12(16,17)18)3-6(11(13,14)15)4-8(9)21(22)23/h3-5H,1-2H3