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

Systemtic Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]butan-1-one Openeye Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]butan-1-one CAS Name: 1-[7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolyl]-1-butanone IUPAC Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]butan-1-one Traditional Name: 1-[7-nitro-2,5-bis(trifluoromethyl)benzimidazol-1-yl]butan-1-one Formula: C13H9F6N3O3 MolecularWeight: 369.219279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F6N3O3/c1-2-3-9(23)21-10-7(20-11(21)13(17,18)19)4-6(12(14,15)16)5-8(10)22(24)25/h4-5H,2-3H2,1H3