2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C26H24N3O5- MolecularWeight: 458.48586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)[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/h6-15,30H,5H2,1-4H3/p-1