3,5-dimethoxy-4-oxidanyl-benzenecarbonitrile; 3-nitro-4-oxidanyl-benzenecarbonitrile; 4-oxidanyl-3-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3,5-dimethoxy-4-oxidanyl-benzenecarbonitrile; 3-nitro-4-oxidanyl-benzenecarbonitrile; 4-oxidanyl-3-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-hydroxy-3,5-dimethoxy-benzonitrile; 4-hydroxy-3-nitro-benzonitrile; 4-hydroxy-3-(trifluoromethyl)benzonitrile CAS Name: 4-hydroxy-3,5-dimethoxybenzonitrile; 4-hydroxy-3-nitrobenzonitrile; 4-hydroxy-3-(trifluoromethyl)benzonitrile IUPAC Name: 4-hydroxy-3,5-dimethoxybenzonitrile; 4-hydroxy-3-nitrobenzonitrile; 4-hydroxy-3-(trifluoromethyl)benzonitrile Traditional Name: 4-hydroxy-3,5-dimethoxy-benzonitrile; 4-hydroxy-3-nitro-benzonitrile; 4-hydroxy-3-(trifluoromethyl)benzonitrile Formula: C24H17F3N4O7 MolecularWeight: 530.40959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C#N.C1=CC(=C(C=C1C#N)C(F)(F)F)O.C1=CC(=C(C=C1C#N)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C#N.C1=CC(=C(C=C1C#N)C(F)(F)F)O.C1=CC(=C(C=C1C#N)[N+](=O)[O-])O

InChI

InChI=1S/C9H9NO3.C8H4F3NO.C7H4N2O3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11;9-8(10,11)6-3-5(4-12)1-2-7(6)13;8-4-5-1-2-7(10)6(3-5)9(11)12/h3-4,11H,1-2H3;1-3,13H;1-3,10H