2-bromanyl-6-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C21H12Br2N3O5- MolecularWeight: 546.14508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-])Br

InChI

InChI=1S/C21H13Br2N3O5/c1-30-18-4-2-11(7-15(18)22)21-25-17-8-13(3-5-19(17)31-21)24-10-12-6-14(26(28)29)9-16(23)20(12)27/h2-10,27H,1H3/p-1