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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitro-phenolate Formula: C24H19ClN3O4- MolecularWeight: 448.87836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O4/c1-24(2,3)16-6-4-14(5-7-16)23-27-19-12-18(8-9-21(19)32-23)26-13-15-10-17(25)11-20(22(15)29)28(30)31/h4-13,29H,1-3H3/p-1