6-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C26H25N3O5 MolecularWeight: 459.4938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O5/c1-5-33-23-14-20(29(31)32)12-17(24(23)30)15-27-19-10-11-22-21(13-19)28-25(34-22)16-6-8-18(9-7-16)26(2,3)4/h6-15,27H,5H2,1-4H3