(6E)-6-[(4-dodecylphenyl)-(oxidanylamino)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[(4-dodecylphenyl)-(oxidanylamino)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(4-dodecylphenyl)-(hydroxyamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(4-dodecylphenyl)-(hydroxyamino)methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(4-dodecylphenyl)-(hydroxyamino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(hydroxyamino)-(4-laurylphenyl)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C25H34N2O4 MolecularWeight: 426.54846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=C2C=CC=C(C2=O)[N+](=O)[O-])NO

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)/C(=C\2/C=CC=C(C2=O)[N+](=O)[O-])/NO

InChI

InChI=1S/C25H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-16-18-21(19-17-20)24(26-29)22-14-12-15-23(25(22)28)27(30)31/h12,14-19,26,29H,2-11,13H2,1H3/b24-22+