5-[(E)-2-hexoxy-1-(methoxyamino)-2-oxidanyl-ethenyl]-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 5-[(E)-2-hexoxy-1-(methoxyamino)-2-oxidanyl-ethenyl]-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-[(E)-2-hexoxy-2-hydroxy-1-(methoxyamino)vinyl]-3-nitro-1,2-benzoquinone CAS Name: 5-[(E)-2-hexoxy-2-hydroxy-1-(methoxyamino)ethenyl]-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-[(E)-2-hexoxy-2-hydroxy-1-(methoxyamino)ethenyl]-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-[(E)-2-hexoxy-2-hydroxy-1-(methoxyamino)vinyl]-3-nitro-o-benzoquinone Formula: C15H20N2O7 MolecularWeight: 340.3285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCO/C(=C(\C1=CC(=O)C(=O)C(=C1)[N+](=O)[O-])/NOC)/O

InChI

InChI=1S/C15H20N2O7/c1-3-4-5-6-7-24-15(20)13(16-23-2)10-8-11(17(21)22)14(19)12(18)9-10/h8-9,16,20H,3-7H2,1-2H3/b15-13+