1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]hexan-1-one

Systemtic Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]hexan-1-one Openeye Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]hexan-1-one CAS Name: 1-[7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolyl]-1-hexanone IUPAC Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]hexan-1-one Traditional Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]hexan-1-one Formula: C15H13F6N3O3 MolecularWeight: 397.272439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F6N3O3/c1-2-3-4-5-11(25)23-12-9(22-13(23)15(19,20)21)6-8(14(16,17)18)7-10(12)24(26)27/h6-7H,2-5H2,1H3