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

Systemtic Name: 4-bromanyl-2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate Formula: C24H19BrN3O4- MolecularWeight: 493.32936

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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-])Br

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-])Br

InChI

InChI=1S/C24H20BrN3O4/c1-24(2,3)16-6-4-14(5-7-16)23-27-19-9-8-18(12-21(19)32-23)26-13-15-10-17(25)11-20(22(15)29)28(30)31/h4-13,29H,1-3H3/p-1