3-tert-butyl-5-nitro-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-tert-butyl-5-nitro-2-oxidanyl-benzenecarbonitrile Openeye Name: 3-tert-butyl-2-hydroxy-5-nitro-benzonitrile CAS Name: 3-tert-butyl-2-hydroxy-5-nitrobenzonitrile IUPAC Name: 3-tert-butyl-2-hydroxy-5-nitrobenzonitrile Traditional Name: 3-tert-butyl-2-hydroxy-5-nitro-benzonitrile Formula: C11H12N2O3 MolecularWeight: 220.22458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3/c1-11(2,3)9-5-8(13(15)16)4-7(6-12)10(9)14/h4-5,14H,1-3H3