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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C24H19N4O6- MolecularWeight: 459.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O6/c1-24(2,3)16-6-4-14(5-7-16)23-26-19-9-8-17(11-21(19)34-23)25-13-15-10-18(27(30)31)12-20(22(15)29)28(32)33/h4-13,29H,1-3H3/p-1