2-[4-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanenitrile

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanenitrile Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanenitrile CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanenitrile IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propanenitrile Traditional Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]propionitrile Formula: C16H11F3N2O4S MolecularWeight: 384.32975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)OC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N2O4S/c1-10(9-20)25-12-3-5-13(6-4-12)26(24)15-7-2-11(16(17,18)19)8-14(15)21(22)23/h2-8,10H,1H3