4,6-ditert-butyl-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4,6-ditert-butyl-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4,6-ditert-butyl-3-nitro-1,2-benzoquinone CAS Name: 4,6-ditert-butyl-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 4,6-ditert-butyl-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 4,6-ditert-butyl-3-nitro-o-benzoquinone Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-13(2,3)8-7-9(14(4,5)6)11(16)12(17)10(8)15(18)19/h7H,1-6H3