4,4-dimethyl-3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile

Systemtic Name: 4,4-dimethyl-3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile Openeye Name: 4,4-dimethyl-3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile CAS Name: 4,4-dimethyl-3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile IUPAC Name: 4,4-dimethyl-3-(nitromethyl)-3-(trifluoromethyl)pentanenitrile Traditional Name: 4,4-dimethyl-3-(nitromethyl)-3-(trifluoromethyl)valeronitrile Formula: C9H13F3N2O2 MolecularWeight: 238.20693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13F3N2O2/c1-7(2,3)8(4-5-13,6-14(15)16)9(10,11)12/h4,6H2,1-3H3