2-[4-nitro-3-(1-oxidanylbutyl)phenoxy]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[4-nitro-3-(1-oxidanylbutyl)phenoxy]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[3-(1-hydroxybutyl)-4-nitro-phenoxy]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[3-(1-hydroxybutyl)-4-nitrophenoxy]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[3-(1-hydroxybutyl)-4-nitrophenoxy]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[3-(1-hydroxybutyl)-4-nitro-phenoxy]-5-(trifluoromethyl)benzonitrile Formula: C18H15F3N2O4 MolecularWeight: 380.31791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-])O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C18H15F3N2O4/c1-2-3-16(24)14-9-13(5-6-15(14)23(25)26)27-17-7-4-12(18(19,20)21)8-11(17)10-22/h4-9,16,24H,2-3H2,1H3