3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile

Systemtic Name: 3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile Openeye Name: 3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile CAS Name: 3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile IUPAC Name: 3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile Traditional Name: 3-(nitromethyl)-3-(trifluoromethyl)valeronitrile Formula: C7H9F3N2O2 MolecularWeight: 210.15377

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)(C[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCC(CC#N)(C[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C7H9F3N2O2/c1-2-6(3-4-11,5-12(13)14)7(8,9)10/h2-3,5H2,1H3