3-(3-nitro-2-oxidanyl-phenyl)benzenecarbonitrile

Systemtic Name: 3-(3-nitro-2-oxidanyl-phenyl)benzenecarbonitrile Openeye Name: 3-(2-hydroxy-3-nitro-phenyl)benzonitrile CAS Name: 3-(2-hydroxy-3-nitrophenyl)benzonitrile IUPAC Name: 3-(2-hydroxy-3-nitrophenyl)benzonitrile Traditional Name: 3-(2-hydroxy-3-nitro-phenyl)benzonitrile Formula: C13H8N2O3 MolecularWeight: 240.21422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O3/c14-8-9-3-1-4-10(7-9)11-5-2-6-12(13(11)16)15(17)18/h1-7,16H