3-[bis(fluoranyl)methyl]-4,4-dimethyl-3-(nitromethyl)pentanenitrile

Systemtic Name: 3-[bis(fluoranyl)methyl]-4,4-dimethyl-3-(nitromethyl)pentanenitrile Openeye Name: 3-(difluoromethyl)-4,4-dimethyl-3-(nitromethyl)pentanenitrile CAS Name: 3-(difluoromethyl)-4,4-dimethyl-3-(nitromethyl)pentanenitrile IUPAC Name: 3-(difluoromethyl)-4,4-dimethyl-3-(nitromethyl)pentanenitrile Traditional Name: 3-(difluoromethyl)-4,4-dimethyl-3-(nitromethyl)valeronitrile Formula: C9H14F2N2O2 MolecularWeight: 220.216466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14F2N2O2/c1-8(2,3)9(4-5-12,7(10)11)6-13(14)15/h7H,4,6H2,1-3H3