2-[3-methoxy-4-(trifluoromethyl)phenyl]-2-nitro-ethanenitrile

Systemtic Name: 2-[3-methoxy-4-(trifluoromethyl)phenyl]-2-nitro-ethanenitrile Openeye Name: 2-[3-methoxy-4-(trifluoromethyl)phenyl]-2-nitro-acetonitrile CAS Name: 2-[3-methoxy-4-(trifluoromethyl)phenyl]-2-nitroacetonitrile IUPAC Name: 2-[3-methoxy-4-(trifluoromethyl)phenyl]-2-nitroacetonitrile Traditional Name: 2-[3-methoxy-4-(trifluoromethyl)phenyl]-2-nitro-acetonitrile Formula: C10H7F3N2O3 MolecularWeight: 260.16939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C#N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(C#N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H7F3N2O3/c1-18-9-4-6(8(5-14)15(16)17)2-3-7(9)10(11,12)13/h2-4,8H,1H3