2-[(2-nitroimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]hexanenitrile

Systemtic Name: 2-[(2-nitroimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 2-[(2-nitroimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 2-[(2-nitro-1-imidazolyl)methyl]-2-[4-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 2-[(2-nitroimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 2-[(2-nitroimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]hexanenitrile Formula: C17H17F3N4O2 MolecularWeight: 366.33769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=CN=C1[N+](=O)[O-])(C#N)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCC(CN1C=CN=C1[N+](=O)[O-])(C#N)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2/c1-2-3-8-16(11-21,12-23-10-9-22-15(23)24(25)26)13-4-6-14(7-5-13)17(18,19)20/h4-7,9-10H,2-3,8,12H2,1H3